# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:50:05+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of natural products') AND volume = 80 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1544814","10.2447","0.0006","8.1822","0.0004","16.059","0.0008","90","","100.634","0.002","90","","1323.01","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","2","","Li, Hong-Lei; Li, Xiao-Ming; Li, Xin; Wang, Chen-Yin; Liu, Hui; Kassack, Matthias U.; Meng, Ling-Hong; Wang, Bin-Gui","Antioxidant Hydroanthraquinones from the Marine Algal-Derived Endophytic Fungus Talaromyces islandicus EN-501.","Journal of natural products","2017","80","1","162","168","10.1021/acs.jnatprod.6b00797","","","1.54178","CuKα","","0.0555","0.0454","","","0.1104","0.1203","","","","","","1.047","","","","has coordinates","191355","2020-10-21","18:00:00",""
"1544815","6.1006","0.0001","15.0443","0.0002","16.0425","0.0002","90","","90","","90","","1472.37","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian","Spiro Meroterpenoids from Ganoderma applanatum.","Journal of natural products","2017","80","1","61","70","10.1021/acs.jnatprod.6b00431","","","1.54178","CuKα","","0.0274","0.0274","","","0.0711","0.0711","","","","","","1.056","","","","has coordinates","191356","2020-10-21","18:00:00",""
"1544914","10.5654","0.0007","12.0671","0.0008","25.9946","0.0015","90","","90","","90","","3314.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C144 H216 O20 -","4","1","","Yang, Xing-Wei; Yang, Jing; Xu, Gang","Skeleton Reassignment of Type C Polycyclic Polyprenylated Acylphloroglucinols.","Journal of natural products","2017","80","1","108","113","10.1021/acs.jnatprod.6b00754","","","1.54178","CuKα","","0.1026","0.0952","","","0.2141","0.2192","","","","","","1.161","","","","has coordinates,has disorder","191358","2020-10-21","18:00:00",""
"1544922","7.1535","0.0009","11.5439","0.001","9.2553","0.0012","90","","110.398","0.014","90","","716.37","0.16","123","0.1","123","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","","1.54184","CuKα","","0.0229","0.0227","","","0.0588","0.059","","","","","","1.071","","","","has coordinates","191359","2020-10-21","18:00:00",""
"1544924","7.098","0.005","11.005","0.005","12.116","0.006","90","","98.904","0.008","90","","935","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0433","0.0409","","","0.1028","0.1048","","","","","","1.059","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1544925","7.342","0.004","15.348","0.012","8.002","0.004","90","","98.622","0.008","90","","891.5","1","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C40 H68 O8 -","2","1","","Wang, Jianbin; Duan, Hongquan; Wang, Yi; Pan, Bowen; Gao, Chun; Gai, Chunyan; Wu, Qiong; Fu, Hongzheng","ent-Strobane and ent-Pimarane Diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2017","80","1","19","29","10.1021/acs.jnatprod.6b00150","","","1.54187","CuKα","","0.0471","0.042","","","0.1153","0.1497","","","","","","1.22","","","","has coordinates","191360","2020-10-21","18:00:00",""
"1545003","11.152","0.0008","16.7802","0.0012","35.226","0.003","90","","90","","90","","6591.9","0.9","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H90 N8 O15 -","- C59 H88 N8 O15 -","- C236 H352 N32 O60 -","4","1","","Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki","Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum.","Journal of natural products","2017","80","1","134","140","10.1021/acs.jnatprod.6b00758","","","0.71073","MoKα","","0.1916","0.1145","","","0.2633","0.2857","","","","","","1.522","","","","has coordinates,has disorder","191357","2020-10-21","18:00:00",""
"1545008","5.1645","0.0004","13.0453","0.0009","22.127","0.0016","90","","90","","90","","1490.75","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O9 -","- C15 H18 O9 -","- C60 H72 O36 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0428","0.0406","","","0.1064","0.1093","","","","","","1.078","","","","has coordinates","191354","2020-10-21","18:00:00",""
"1545009","20.881","0.003","7.2139","0.0011","7.1436","0.0011","90","","95.201","0.004","90","","1071.6","0.3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H13 O5.5 -","- C11 H13 O5.5 -","- C44 H52 O22 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0503","0.0501","","","0.1291","0.1293","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545126","11.8767","0.0003","9.3428","0.0003","16.2435","0.0005","90","","113.85","0.002","90","","1648.49","0.09","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0655","0.0479","","","0.1104","0.1193","","","","","","1.043","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545127","13.1824","0.0002","15.15072","0.00019","8.32489","0.00011","90","","98.5002","0.0013","90","","1644.41","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0275","0.0273","","","0.0712","0.0715","","","","","","1.062","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545128","8.5769","0.0003","9.1101","0.0003","11.523","0.0004","78.724","0.002","76.207","0.002","81.728","0.002","853.04","0.05","173.15","0.1","173.15","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C42 H40 O10 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","0.71073","MoKα","","0.0579","0.0491","","","0.1191","0.1271","","","","","","1.052","","","","has coordinates,has disorder","193526","2020-10-21","18:00:00",""
"1545129","5.18734","0.00007","20.1639","0.0002","21.6358","0.0002","90","","90","","90","","2263.04","0.04","123.01","0.02","123.01","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C104 H120 O20 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0369","0.0348","","","0.0949","0.0968","","","","","","1.042","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545147","10.831","0.002","14.3307","0.0019","16.615","0.003","90","","90","","90","","2578.9","0.7","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N3 O6 -","- C27 H37 N3 O6 -","- C108 H148 N12 O24 -","4","1","","Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan","Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.","Journal of natural products","2017","80","2","371","376","10.1021/acs.jnatprod.6b00829","","","1.54178","CuKα","","0.0435","0.0411","","","0.1079","0.1107","","","","","","1.033","","","","has coordinates","193528","2020-10-21","18:00:00",""
"1545197","8.7141","0.0002","9.0869","0.0002","20.7089","0.0004","90","","90","","90","","1639.82","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0396","0.0369","","","0.0929","0.095","","","","","","1.048","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545198","9.9833","0.0005","12.0569","0.0008","16.3459","0.0013","90","","90","","90","","1967.5","0.2","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0339","0.0336","","","0.093","0.0933","","","","","","1.357","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545200","16.6863","0.0007","4.1596","0.0002","12.8685","0.0006","90","","90","","90","","893.18","0.07","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H7 Cl O3 -","- C10 H7 Cl O3 -","- C40 H28 Cl4 O12 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0487","0.0437","","","0.1113","0.1338","","","","","","1.188","","","","has coordinates","191276","2020-10-21","18:00:00",""
"1545201","7.403","0.003","8.932","0.005","20.101","0.008","90","","90","0.008","90","","1329.2","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C44 H88 N8 O16 -","4","1","","Wei, Wendi; Lin, Sheng; Chen, Minghua; Liu, Tianxi; Wang, Ali; Li, Jinjie; Guo, Qinglan; Shang, Xiaoya","Monascustin, an Unusual γ-Lactam from Red Yeast Rice.","Journal of natural products","2017","80","1","201","204","10.1021/acs.jnatprod.6b00493","","","1.54187","CuKα","","0.0401","0.037","","","0.0982","0.1021","","","","","","1.114","","","","has coordinates","191277","2020-10-21","18:00:00",""
"1545202","7.46453","0.00007","14.64416","0.00012","8.31421","0.00009","90","","109.825","0.0011","90","","854.979","0.015","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Gruhonjic, Amra; Duffy, Sandra; Pan, Fangfang; Puttreddy, Rakesh; Holleran, John P.; Fitzpatrick, Paul A.; Pelletier, Jerry; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté","Polyoxygenated Cyclohexenes and Other Constituents of Cleistochlamys kirkii Leaves.","Journal of natural products","2017","80","1","114","125","10.1021/acs.jnatprod.6b00759","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0701","0.0701","","","","","","1.058","","","","has coordinates","191278","2020-10-21","18:00:00",""
"1545294","19.6602","0.0015","14.7796","0.0012","26.125","0.0019","90","","91.529","0.004","90","","7588.4","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7.833333 -","- C25 H34 O7.83333 -","- C300 H408 O94 -","12","6","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.1573","0.0988","","","0.2565","0.3084","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545295","11.144","0.008","16.201","0.012","12.443","0.01","90","","90","","90","","2247","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","0.71073","MoKα","","0.2116","0.0695","","","0.1364","0.1879","","","","","","0.93","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545296","15.2749","0.0018","15.1875","0.0017","10.1806","0.0012","90","","90","","90","","2361.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl O6 -","- C25 H31 Cl O6 -","- C100 H124 Cl4 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.079","0.0649","","","0.142","0.1526","","","","","","1.058","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545297","10.9888","0.0004","12.7811","0.0004","15.604","0.0005","90","","90","","90","","2191.57","0.13","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C100 H120 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.045","0.0415","","","0.1028","0.1052","","","","","","1.055","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545317","6.0388","0.0002","20.9417","0.0008","9.9049","0.0004","90","","105.867","0.004","90","","1204.88","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0418","0.039","","","0.1049","0.1095","","","","","","1.038","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545318","6.1236","0.0001","20.4801","0.0002","21.9533","0.0002","90","","90","","90","","2753.21","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0438","0.0415","","","0.1234","0.1271","","","","","","1.05","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545390","12.9683","0.0006","6.3279","0.0003","15.6194","0.0006","90","","90.65","0.004","90","","1281.68","0.1","173","0.1","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54178","CuKα","","0.0498","0.0452","","","0.1152","0.1194","","","","","","1.031","","","","has coordinates","196137","2020-10-21","18:00:00",""
"1545391","8.42641","0.00016","10.9379","0.0002","21.7505","0.0004","90","","90","","90","","2004.68","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54184","CuKα","","0.0404","0.0383","","","0.1054","0.1069","","","","","","1.058","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545409","7.6922","0.0015","7.9904","0.0016","24.276","0.005","90","","93.51","0.03","90","","1489.3","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pegaharmine F","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Bao, Yu; Cao, Fei; Wang, Wen-Jing; Lin, Clement; Bin, Wen; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Yang, Danzhou; Li, Zhan-Lin; Hua, Hui-Ming","Structurally Diverse Alkaloids from the Seeds of Peganum harmala.","Journal of natural products","2017","80","2","551","559","10.1021/acs.jnatprod.6b01146","","","0.71073","MoKα","","0.0644","0.0516","","","0.1266","0.1361","","","","","","1.051","","","","has coordinates","193204","2020-10-21","18:00:00",""
"1545410","8.3072","0.0002","8.03313","0.00019","12.8765","0.0003","90","","101.571","0.003","90","","841.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C38 H40 O12 -","2","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.5418","CuKα","","0.031","0.0306","","","0.0834","0.084","","","","","","1.046","","","","has coordinates","193205","2020-10-21","18:00:00",""
"1545411","6.92797","0.00019","14.3084","0.0003","37.5013","0.0019","90","","90","","90","","3717.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0592","0.0485","","","0.1263","0.1344","","","","","","1.1","","","","has coordinates,has disorder","193206","2020-10-21","18:00:00",""
"1545412","10.888","0.0002","15.8264","0.0002","9.5461","0.0002","90","","90","","90","","1644.96","0.05","296","","296","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0384","0.038","","","0.1103","0.1108","","","","","","1.058","","","","has coordinates","193207","2020-10-21","18:00:00",""
"1545413","9.5867","0.0001","10.2119","0.0002","17.6325","0.0003","90","","90","","90","","1726.19","0.05","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0761","","","","","","1.089","","","","has coordinates","193208","2020-10-21","18:00:00",""
"1545571","11.5223","0.0005","11.5593","0.0005","14.854","0.0006","109.544","0.002","94.088","0.002","113.055","0.002","1668.16","0.13","170","2","170","","","","","","","","","3","P 1","P 1","1","","","","- C63 H101 O23 -","- C63 H101 O23 -","- C63 H101 O23 -","1","1","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","1.54178","CuKα","","0.0422","0.0363","","","0.0906","0.0942","","","","","","1.026","","","","has coordinates","196136","2020-10-21","18:00:00",""
"1545738","9.68785","0.00012","6.62844","0.00009","15.2024","0.0002","90","","103.889","0.0013","90","","947.69","0.02","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C42 H44 O14 -","2","1","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0705","0.0715","","","","","","1.062","","","","has coordinates","197452","2020-10-21","18:00:00",""
"1545923","12.5069","0.0016","23.641","0.003","25.417","0.003","90","","98.788","0.002","90","","7427","1.6","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H60 O11 -","- C37 H56.75 O11 -","- C296 H454 O88 -","8","4","","Wang, Luo-Yi; Qin, Jun-Jun; Chen, Zhen-Hua; Zhou, Yu; Tang, Wei; Zuo, Jian-Ping; Zhao, Wei-Min","Absolute Configuration of Periplosides C and F and Isolation of Minor Spiro-orthoester Group-Containing Pregnane-type Steroidal Glycosides from Periploca sepium and Their T-Lymphocyte Proliferation Inhibitory Activities.","Journal of natural products","2017","80","4","1102","1109","10.1021/acs.jnatprod.7b00017","","","0.71073","MoKα","","0.1501","0.0761","","","0.1596","0.1886","","","","","","0.977","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1545924","9.7656","0.0001","6.1628","0.0001","15.4441","0.0002","90","","101.53","0.001","90","","910.72","0.02","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C40 H48 O10 -","2","1","","Liu, Ye; Yu, Heng-Yi; Wang, Yan-Mei; Tian, Tian; Wu, Wen-Ming; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Neuroprotective Lignans from the Fruits of Schisandra bicolor var. tuberculata.","Journal of natural products","2017","80","4","1117","1124","10.1021/acs.jnatprod.7b00035","","","1.54178","CuKα","","0.0364","0.0357","","","0.0989","0.0995","","","","","","1.077","","","","has coordinates","196013","2020-10-21","18:00:00",""
"1545925","11.0269","0.0003","13.3801","0.0003","16.14","0.0004","90","","90","","90","","2381.31","0.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 O6 -","- C25 H30 Cl2 O6 -","- C100 H120 Cl8 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.0786","0.0575","","","0.1103","0.1183","","","","","","1.081","","","","has coordinates","196014","2020-10-21","18:00:00",""
"1546019","9.2535","0.0002","11.5385","0.0003","24.9217","0.0007","90","","90","","90","","2660.93","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O8 -","- C30 H38 O8 -","- C120 H152 O32 -","4","1","","Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat","Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua.","Journal of natural products","2017","80","5","1658","1667","10.1021/acs.jnatprod.7b00240","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0756","0.0767","","","","","","1.031","","","","has coordinates","197451","2020-10-21","18:00:00",""
"1546123","19.296","0.0008","8.0943","0.0004","6.9478","0.0003","90","","90","","90","","1085.16","0.08","104.2","","104.2","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng","Bioactive Glycosides from the Twigs of Litsea cubeba.","Journal of natural products","2017","80","6","1808","1818","10.1021/acs.jnatprod.6b01189","","","1.5418","CuKα","","0.0371","0.0349","","","0.0907","0.0931","","","","","","1.066","","","","has coordinates","198420","2020-10-21","18:00:00",""
"1546142","9.8604","0.0016","12.364","0.002","15.752","0.003","90","","90","","90","","1920.4","0.6","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O5 -","- C20 H30 N4 O5 -","- C80 H120 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0772","0.0753","","","0.2019","0.2041","","","","","","1.0153","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546143","9.4557","0.0013","12.8247","0.0017","15.429","0.002","90","","90","","90","","1871","0.4","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C80 H96 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0514","0.0511","","","0.1663","0.1667","","","","","","1.5369","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546200","14.9136","0.0006","14.9888","0.0006","22.7918","0.0009","97.926","0.002","93.125","0.002","114.454","0.002","4558.1","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C30.5 H60.33333 O5.83333 -","- C30.6667 H54.3333 O5.66667 -","- C184 H326 O34 -","6","6","","Niu, Biao; Ke, Chang-Qiang; Li, Bo-Han; Li, Yuanyuan; Yi, Yongji; Luo, Yongwei; Shuai, Lin; Yao, Sheng; Lin, Li-Gen; Li, Jia; Ye, Yang","Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity.","Journal of natural products","2017","80","5","1428","1435","10.1021/acs.jnatprod.6b01086","","","1.54178","CuKα","","0.0896","0.0824","","","0.213","0.2199","","","","","","1.066","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1546201","7.45094","0.00006","9.21543","0.00008","26.7264","0.0002","90","","90","","90","","1835.13","0.03","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Luo, Pan; Xia, Wenjuan; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Zhao, Yu; Gu, Qiong; Xu, Jun","Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.","Journal of natural products","2017","80","5","1679","1683","10.1021/acs.jnatprod.6b01195","","x-ray","1.54184","CuKα","","0.0302","0.0298","","","0.0737","0.0738","","","","","","1.05","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546202","6.209","0.0002","7.0974","0.0001","19.3995","0.0006","90","","90.588","0.002","90","","854.85","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0332","0.0326","","","0.0884","0.0886","","","","","","1.072","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546203","5.9878","0.0003","7.3276","0.0002","18.7222","0.0007","90","","97.466","0.003","90","","814.49","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0366","0.0314","","","0.0803","0.0958","","","","","","1.173","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546204","6.2011","0.0004","7.0991","0.0004","19.423","0.0013","90","","90.899","0.005","90","","854.94","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.0748","0.0641","","","0.1592","0.1664","","","","","","0.991","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546205","5.9893","0.0001","7.3207","0.0001","18.7356","0.0004","90","","97.532","0.002","90","","814.39","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-L-glycero-D-gluco-octano-1,4-lactone","","- C14 H26 O5 Si -","- C14 H26 O5 Si -","- C28 H52 O10 Si2 -","2","1","","Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor","Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.","Journal of natural products","2017","80","5","1631","1638","10.1021/acs.jnatprod.7b00212","","","1.54186","CuKα","","0.024","0.0239","","","0.0656","0.0657","","","","","","1.059","","","","has coordinates","197317","2020-10-21","18:00:00",""
"1546206","24.3633","0.0004","9.12727","0.00013","31.0898","0.0006","90","","109.128","0.002","90","","6531.8","0.2","99.9","0.2","100","80","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C276 H336 O84 -","12","6","","Hong, Min Jee; Kim, Jinwoong","Determination of the Absolute Configuration of Khellactone Esters from Peucedanum japonicum Roots.","Journal of natural products","2017","80","5","1354","1360","10.1021/acs.jnatprod.6b00947","","x-ray","1.54184","CuKα","","0.0464","0.0417","","","0.1069","0.1107","","","","","","1.031","","","","has coordinates,has disorder","197318","2020-10-21","18:00:00",""
"1546240","6.4987","0.0003","6.9114","0.0003","41.4349","0.0019","90","","90","","90","","1861.05","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O8 -","- C19 H25 O8 -","- C76 H100 O32 -","4","1","","Nur-E-Alam, Mohammad; Yousaf, Muhammad; Ahmed, Sarfaraz; Al-Sheddi, Ebtesam S; Parveen, Ifat; Fazakerley, David M.; Bari, Ahmed; Ghabbour, Hazem A.; Threadgill, Michael D.; Whatley, Kezia C. L.; Hoffmann, Karl F.; Al-Rehaily, Adnan J","Neoclerodane Diterpenoids from Reehal Fatima, Teucrium yemense.","Journal of natural products","2017","80","6","1900","1908","10.1021/acs.jnatprod.7b00188","","","1.54178","CuKα","","0.0427","0.0408","","","0.1091","0.1102","","","","","","1.046","","","","has coordinates","198419","2020-10-21","18:00:00",""
"1546459","6.21152","0.00011","5.70278","0.00014","19.944","0.0003","90","","92.5859","0.0016","90","","705.76","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-3-hydroxy-5-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4-nitrocyclohexan-1-one","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Varró, Gábor; Hegedűs, László; Simon, András; Balogh, Attila; Grün, Alajos; Leveles, Ibolya; Vértessy, Beáta G; Kádas, István","The First Enantioselective Total Synthesis of (-)-trans-Dihydronarciclasine.","Journal of natural products","2017","80","6","1909","1917","10.1021/acs.jnatprod.7b00208","","","1.54184","CuKα","","0.0436","0.0381","","","0.1095","0.116","","","","","","0.917","","","","has coordinates","198374","2020-10-21","18:00:00",""
"1546460","27.622","0.0004","19.968","0.0001","5.699","0.0005","90","","90","0.001","90","","3143.3","0.3","298","2","298","2","","","","","","","Hoya kerrii","3","P 21 21 2","P 2 2ab","18","kerriipregnane B 3-O-Î^2^-D-diginopyranoside acetate","","","- C31 H46 O10 -","- C31 H46 O10 -","- C124 H184 O40 -","4","1","","Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote","Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii.","Journal of natural products","2017","80","6","1714","1724","10.1021/acs.jnatprod.6b00730","","x-ray","0.71073","MoKα","","0.0594","0.052","","","0.1346","0.1424","","","","","","1.043","","","","has coordinates","198375","2020-10-21","18:00:00",""
"1546590","9.308","0.0002","30.611","0.0008","8.38","0.0002","90","","96.194","0.002","90","","2373.75","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bruceollina H","6-hydroxy-3,3-dimethylcyclopenta[b]indole-1,2(3H,4H)-dione","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Scarpi, Dina; Faggi, Cristina; Occhiato, Ernesto G.","Total Synthesis of Bruceolline I.","Journal of natural products","2017","80","8","2384","2388","10.1021/acs.jnatprod.7b00311","","x-ray","1.54178","CuKα","","0.072","0.0512","","","0.1221","0.1406","","","","","","1.056","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546738","14.1074","0.0002","5.8267","0.0001","17.4282","0.0002","90","","112.703","0.002","90","","1321.59","0.04","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0316","0.0312","","","0.0894","0.0899","","","","","","1.04","","","","has coordinates","200675","2020-10-21","18:00:00",""
"1546954","10.4703","0.0008","8.0849","0.001","33.511","0.002","90","","92.726","0.006","90","","2833.5","0.4","273.77","0.1","273.77","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H34 O3 -","- C19 H34 O3 -","- C114 H204 O18 -","6","3","","Gobu, Fekadu-Roge; Chen, Jian-Jun; Zeng, Jun; Wei, Wen-Jun; Wang, Wei-Feng; Lin, Chang-Jun; Gao, Kun","Isolation, Structure Elucidition, and Immunosuppressive Activity of Diterpenoids from Ligularia fischeri.","Journal of natural products","2017","80","8","2263","2268","10.1021/acs.jnatprod.7b00198","","x-ray","1.54184","CuKα","","0.1313","0.0454","","","0.12","0.1809","","","","","","0.906","","","","has coordinates","200266","2020-10-21","18:00:00",""
"1546955","6.2219","0.0001","12.662","0.0001","28.7249","0.0003","90","","90","","90","","2263","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0435","0.0425","","","0.1344","0.1359","","","","","","1.077","","","","has coordinates,has disorder","200267","2020-10-21","18:00:00",""
"1546956","10.1208","0.0001","10.1208","0.0001","37.134","0.0008","90","","90","","120","","3294.06","0.08","289","2","289","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C144 H216 O18 -","6","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0328","0.0323","","","0.0873","0.0883","","","","","","1.074","","","","has coordinates","200268","2020-10-21","18:00:00",""
"1546957","9.2583","0.0001","8.03346","0.00008","12.0021","0.00014","90","","103.302","0.0011","90","","868.719","0.017","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C38 H48 O12 -","2","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","1.54184","CuKα","","0.029","0.0283","","","0.0719","0.0726","","","","","","1.046","","","","has coordinates","200269","2020-10-21","18:00:00",""
"1546958","5.088","0.0001","11.946","0.0002","23.4043","0.0003","90","","90","","90","","1422.54","0.04","","","","","","","","","","","","3","P 1","P 1","1","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C18 H16 O5 -","1","1","","Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi","Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.","Journal of natural products","2017","80","8","2215","2223","10.1021/acs.jnatprod.7b00066","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","295994","2024-11-19","11:44:04",""
"1546959","5.19667","0.00005","13.40708","0.00009","42.3221","0.0003","90","","90","","90","","2948.67","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Deyou, Tsegaye; Marco, Makungu; Heydenreich, Matthias; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul A.; Koch, Andreas; Derese, Solomon; Pelletier, Jerry; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Isoflavones and Rotenoids from the Leaves of Millettia oblata ssp. teitensis.","Journal of natural products","2017","80","7","2060","2066","10.1021/acs.jnatprod.7b00255","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0746","0.0753","","","","","","1.061","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547128","25.998","0.002","12.1491","0.0011","11.3547","0.0011","90","","103.78","0.005","90","","3483.2","0.5","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N O6.5 -","- C17 H24 N O6.5 -","- C136 H192 N8 O52 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0679","0.0625","","","0.1614","0.1682","","","","","","1.116","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1547129","9.535","0.0003","7.4498","0.0002","14.7161","0.0004","90","","103.488","0.001","90","","1016.51","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O8 -","- C18 H29 N O8 -","- C36 H58 N2 O16 -","2","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin","Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.","Journal of natural products","2017","80","9","2462","2471","10.1021/acs.jnatprod.7b00301","","","1.54178","CuKα","","0.0317","0.0315","","","0.0816","0.0817","","","","","","1.04","","","","has coordinates","201749","2020-10-21","18:00:00",""
"1547279","9.826","0.0006","8.8711","0.0007","10.6841","0.0007","90","","90.834","0.003","90","","931.21","0.11","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Metformin acetate","","","- C6 H15 N5 O2 -","- C6 H15 N5 O2 -","- C24 H60 N20 O8 -","4","1","","Hassan, Ahmed R.; El-Kousy, Salah M; El-Toumy, Sayed A; Frydenvang, Karla; Tung, Truong Thanh; Olsen, Jesper; Nielsen, John; Christensen, Søren Brøgger","Metformin, an Anthropogenic Contaminant of Seidlitzia rosmarinus Collected in a Desert Region near the Gulf of Aqaba, Sinai Peninsula.","Journal of natural products","2017","80","10","2830","2834","10.1021/acs.jnatprod.7b00106","","","0.71073","MoKα","","0.0799","0.0491","","","0.1082","0.1208","","","","","","1.018","","","","has coordinates","202668","2020-10-21","18:00:00",""
"1547336","16.1809","0.0012","6.7481","0.0004","16.4245","0.0013","90","","116.917","0.003","90","","1599.1","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sidjui, Lazare S.; Eyong, Kenneth O.; Hull, Kenneth G.; Folefoc, Gabriel N.; Leddet, Valérie M; Herbette, Gaëtan; Ollivier, Evelyne; Taube, Joseph; Klausmeyer, Kevin; Romo, Daniel","Bioactive Seco-Lanostane-Type Triterpenoids from the Roots of Leplaea mayombensis.","Journal of natural products","2017","80","10","2644","2651","10.1021/acs.jnatprod.7b00210","","","0.71073","MoKα","","0.1013","0.0607","","","0.1145","0.1249","","","","","","1.029","","","","has coordinates","202670","2020-10-21","18:00:00",""
"1547497","6.9835","0.0018","13.171","0.003","14.818","0.003","90","","90","","90","","1363","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.1067","0.0529","","","0.1012","0.12","","","","","","0.998","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547498","9.7788","0.0002","9.8113","0.0002","13.9226","0.0003","90","","90","","90","","1335.77","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.0757","0.0466","","","0.0897","0.1009","","","","","","1.033","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547520","16.6578","0.0011","9.9005","0.0007","12.3571","0.0008","90","","102.887","0.004","90","","1986.6","0.2","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0732","0.0652","","","0.1823","0.192","","","","","","1.021","","","","has coordinates","201651","2020-10-21","18:00:00",""
"1547521","7.867","0.0001","11.4726","0.0002","10.1815","0.0001","90","","93.641","0.001","90","","917.08","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0341","0.034","","","0.0914","0.0916","","","","","","1.05","","","","has coordinates","201652","2020-10-21","18:00:00",""
"1547522","10.021","0.0001","13.4995","0.0002","26.1852","0.0004","90","","90","","90","","3542.29","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0374","0.0349","","","0.085","0.0864","","","","","","1.065","","","","has coordinates","201653","2020-10-21","18:00:00",""
"1547725","15.446","0.004","5.9493","0.0012","15.55","0.004","90","","103.722","0.008","90","","1388.1","0.6","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.6 H43 O6.9 -","- C24 H34 O6 -","- C48 H68 O12 -","2","1","","Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal","Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast.","Journal of natural products","2017","80","10","2850","2854","10.1021/acs.jnatprod.7b00714","","","1.54187","CuKα","","0.1365","0.078","","","0.2001","0.2592","","","","","","1.001","","","","has coordinates","202671","2020-10-21","18:00:00",""
"1547776","9.8304","0.0003","7.6333","0.0002","20.2122","0.0006","90","","102.819","0.002","90","","1478.89","0.07","299","2","298.83","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30.5 H49 Cl O5 -","- C30.5 H49 Cl O5 -","- C61 H98 Cl2 O10 -","2","1","","Xiong, Juan; Wan, Jiang; Ding, Jie; Wang, Pei-Pei; Ma, Guang-Lei; Li, Jia; Hu, Jin-Feng","Camellianols A-G, Barrigenol-like Triterpenoids with PTP1B Inhibitory Effects from the Endangered Ornamental Plant Camellia crapnelliana.","Journal of natural products","2017","80","11","2874","2882","10.1021/acs.jnatprod.7b00241","","","1.54178","CuKα","","0.0753","0.0604","","","0.1535","0.1706","","","","","","1.051","","","","has coordinates,has disorder","203987","2020-10-21","18:00:00",""
"1547837","11.34029","0.0001","10.58915","0.00008","11.42721","0.00011","90","","103.643","0.0009","90","","1333.51","0.02","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0384","0.0367","","","0.0989","0.1005","","","","","","1.047","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547838","11.6837","0.0003","6.49484","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.08","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1084","0.1154","","","","","","1.055","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547839","11.6837","0.0003","6.4948","0.0002","18.4991","0.0006","90","","100.765","0.003","90","","1379.07","0.07","295","0.2","295","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.0473","0.0394","","","0.1078","0.1147","","","","","","1.046","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547840","12.01771","0.00012","6.66052","0.00007","18.21093","0.00019","90","","98.0021","0.0009","90","","1443.49","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","2","","Ma, Chi Thanh; Eom, Taeyong; Cho, Eunji; Wu, Bo; Kim, Tae Ryong; Oh, Ki Bong; Han, Sang Beom; Kwon, Sung Won; Park, Jeong Hill","Aquilanols A and B, Macrocyclic Humulene-Type Sesquiterpenoids from the Agarwood of Aquilaria malaccensis.","Journal of natural products","2017","80","11","3043","3048","10.1021/acs.jnatprod.7b00462","","x-ray","1.54184","CuKα","","0.027","0.0263","","","0.0681","0.0687","","","","","","1.031","","","","has coordinates","203990","2020-10-21","18:00:00",""
"1547851","9.0178","0.0004","10.4563","0.0004","16.4936","0.0009","90","","102.262","0.005","90","","1519.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Eburnamonine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.054","0.0423","","","0.114","0.1263","","","","","","1.042","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547852","8.79926","0.00016","12.3307","0.0003","14.2867","0.0003","90","","90","","90","","1550.12","0.06","143.1","0.4","143.1","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-19-Hydroxyeburnamine","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0279","0.0272","","","0.0705","0.0712","","","","","","1.067","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547853","9.0112","0.0003","9.8045","0.0005","10.2163","0.0004","89.964","0.003","78.459","0.003","76.61","0.004","859.33","0.06","145","1","145","1","","","","","","","","4","P 1","P 1","1","(-)-Eburnamine","","","- C19.5 H27 N2 O2 -","- C19.5 H27 N2 O2 -","- C39 H54 N4 O4 -","2","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.033","0.0327","","","0.0887","0.0891","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547854","12.7943","0.0004","8.5404","0.0002","17.244","0.0006","90","","108.984","0.004","90","","1781.74","0.1","157","2","157","2","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-Leucophyllidine","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0602","0.0485","","","0.1151","0.123","","","","","","1.017","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547855","12.53164","0.00019","12.8094","0.0002","19.2522","0.0003","90","","90","","90","","3090.42","0.08","144","1","144","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Oxoeburnamonine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0321","0.0304","","","0.0745","0.076","","","","","","1.041","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547856","9.69345","0.0001","9.69345","0.0001","32.9728","0.0004","90","","90","","90","","3098.22","0.06","146","1","146","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","(-)-19-Oxoisoeburnamine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C152 H176 N16 O16 -","8","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0273","0.0268","","","0.0674","0.0676","","","","","","1.079","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547857","8.49956","0.00018","12.2136","0.0003","16.9889","0.0004","90","","90","","90","","1763.62","0.07","143.3","0.9","143.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0335","0.0318","","","0.0784","0.0805","","","","","","1.068","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547858","8.65954","0.00013","7.95159","0.00011","11.56157","0.00018","90","","98.5016","0.0015","90","","787.35","0.02","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-19-Hydroxyeburnamenine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0297","0.0294","","","0.0773","0.0777","","","","","","1.069","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1548119","18.06063","0.00019","9.22305","0.00012","20.6152","0.0002","90","","91.6998","0.0009","90","","3432.45","0.07","100","0.1","100","0.1","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C39 H54 O7 -","- C39 H54 O7 -","- C156 H216 O28 -","4","1","","Wei, Yunlong; Wang, Chao; Cheng, Zhongbin; Tian, Xiangge; Jia, Jingming; Cui, Yonglei; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Ma, Xiaochi","Heterodimeric Diterpenoids Isolated from Euphorbia ebracteolata Roots and Their Inhibitory Effects on α-Glucosidase.","Journal of natural products","2017","80","12","3218","3223","10.1021/acs.jnatprod.7b00595","","x-ray","1.54184","CuKα","","0.0288","0.0282","","","0.073","0.0735","","","","","","1.043","","","","has coordinates","204787","2020-10-21","18:00:00",""
"1548120","10.9006","0.0006","7.8767","0.0005","11.1971","0.0006","90","","118.648","0.002","90","","843.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","salvifiline A /15-epi-salvifiline A","","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0321","0.0303","","","0.0724","0.0737","","","","","","1.072","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548121","10.9433","0.0012","7.8994","0.0009","11.2708","0.0017","90","","118.237","0.007","90","","858.4","0.2","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Polystachyne G/15-epi-polystachyne G","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.1919","0.1321","","","0.3358","0.3676","","","","","","1.148","","","","has coordinates,has disorder","203989","2020-10-21","18:00:00",""
"1548122","7.7431","0.0007","14.6879","0.0014","14.9959","0.0014","90","","90","","90","","1705.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Polystachyne H","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0287","0.0284","","","0.075","0.0753","","","","","","1.062","","","","has coordinates","203989","2020-10-21","18:00:00",""
"1548140","24.2616","0.0018","7.3548","0.0005","26.7947","0.0019","90","","108.147","0.008","90","","4543.4","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-3-(hydroxy(5-(4-methylpent-3-en-1-yl)-1,2,3,6- tetrahydro-[1,1'-biphenyl]-2-yl)methylene)-6-methoxycyclohex-5 -ene-1,2,4-trione","","- C26 H28 O6 -","- C26 H28 O6 -","- C208 H224 O48 -","8","2","","Gény, Charlotte; Abou Samra, Alma; Retailleau, Pascal; Iorga, Bogdan I.; Nedev, Hristo; Awang, Khalijah; Roussi, Fanny; Litaudon, Marc; Dumontet, Vincent","(+)- and (-)-Ecarlottones, Uncommon Chalconoids from Fissistigma latifolium with Pro-Apoptotic Activity.","Journal of natural products","2017","80","12","3179","3185","10.1021/acs.jnatprod.7b00494","","","1.54187","CuKα","","0.1095","0.0669","","","0.1387","0.1602","","","","","","1.031","","","","has coordinates","204791","2020-10-21","18:00:00",""
"1548278","6.618","0.0001","11.0447","0.0001","9.5463","0.0001","90","","97.521","0.001","90","","691.773","0.014","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0292","0.0291","","","0.0734","0.0735","","","","","","1.088","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548279","9.3421","0.0001","19.9924","0.0002","9.4989","0.0001","90","","101.955","0.001","90","","1735.64","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.044","0.0432","","","0.1197","0.1206","","","","","","1.054","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548280","6.6645","0.0002","14.5838","0.0005","16.6379","0.0005","90","","90","","90","","1617.1","0.09","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0385","0.0375","","","0.1008","0.1021","","","","","","1.056","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548281","10.5798","0.0002","11.3154","0.0002","12.4063","0.0002","90","","90","","90","","1485.22","0.05","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.038","0.0357","","","0.1089","0.1125","","","","","","0.946","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548282","9.8726","0.0001","12.6801","0.0001","18.1414","0.0002","90","","92.315","0.001","90","","2269.19","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0367","0.0342","","","0.0896","0.0917","","","","","","1.05","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548283","19.2834","0.0019","10.8405","0.0009","24.0533","0.0013","90","","90.22","0.007","90","","5028.1","0.7","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 N2 O6 -","- C50 H60 N2 O6 -","- C200 H240 N8 O24 -","4","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.1692","0.1138","","","0.3275","0.3803","","","","","","1.13","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548284","21.8292","0.0003","15.8674","0.0002","12.3179","0.0002","90","","91.099","0.001","90","","4265.8","0.11","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C184 H216 N8 O32 -","8","1","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0395","0.0358","","","0.0953","0.0987","","","","","","1.03","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548285","12.4371","0.0001","14.4844","0.0001","22.3921","0.0002","90","","98.146","0.001","90","","3993.1","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","1.54184","CuKα","","0.0443","0.0386","","","0.1005","0.1046","","","","","","1.03","","","","has coordinates,has disorder","204788","2020-10-21","18:00:00",""
"1548286","9.2101","0.0003","20.2873","0.0007","21.287","0.0011","90","","96.731","0.004","90","","3950","0.3","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.","Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.","Journal of natural products","2017","80","12","3305","3313","10.1021/acs.jnatprod.7b00872","","x-ray","0.71073","MoKα","","0.0904","0.0477","","","0.101","0.1194","","","","","","1.025","","","","has coordinates","204788","2020-10-21","18:00:00",""
"1548287","6.662","0.0006","11.5786","0.0011","25.333","0.002","90","","90","","90","","1954.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoK/a","","0.0497","0.0444","","","0.0915","0.0967","","","","","","2.555","","","","has coordinates","275205","2022-05-07","03:35:09",""
"1548288","7.764","0.0007","10.8733","0.001","24.687","0.002","90","","90","","90","","2084.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoKα","","0.0511","0.0468","","","0.1127","0.1134","","","","","","3.193","","","","has coordinates","204789","2020-10-21","18:00:00",""
"1548289","14.3972","0.0004","6.525","0.0002","15.8944","0.0005","90","","110.13","0.003","90","","1401.94","0.08","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H48 O7 -","- C28 H48 O7 -","- C56 H96 O14 -","2","1","","Woo, Jung-Kyun; Ha, Thi Kim Quy; Oh, Dong-Chan; Oh, Won-Keun; Oh, Ki-Bong; Shin, Jongheon","Polyoxygenated Steroids from the Sponge Clathria gombawuiensis.","Journal of natural products","2017","80","12","3224","3233","10.1021/acs.jnatprod.7b00651","","x-ray","1.54184","CuKα","","0.066","0.061","","","0.1847","0.1927","","","","","","1.519","","","","has coordinates","204792","2020-10-21","18:00:00",""
"1548328","7.3007","0.0019","10.496","0.007","10.861","0.001","70.26","0.08","77","0.06","81.658","0.01","761.1","0.7","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","2","","Zhang, Dewu; Guo, Jiamei; Zhang, Min; Liu, Xiao; Ba, Mingyu; Tao, Xiaoyu; Yu, Liyan; Guo, Ying; Dai, Jungui","Oxazole-Containing Diterpenoids from Cell Cultures of Salvia miltiorrhiza and Their Anti-HIV-1 Activities.","Journal of natural products","2017","80","12","3241","3246","10.1021/acs.jnatprod.7b00659","","","1.54178","CuKα","","0.0457","0.0455","","","0.1175","0.1184","","","","","","1.043","","","","has coordinates","204790","2020-10-21","18:00:00",""
"1553307","14.6436","0.0005","10.578","0.0004","15.5742","0.0007","90","","92.794","0.002","90","","2409.58","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44.25 H74 N5 O11 -","- C44.25 H74 N5 O11 -","- C88.5 H148 N10 O22 -","2","1","","Almaliti, Jehad; Malloy, Karla L.; Glukhov, Evgenia; Spadafora, Carmenza; Gutiérrez, Marcelino; Gerwick, William H.","Dudawalamides A-D, Antiparasitic Cyclic Depsipeptides from the Marine Cyanobacterium Moorea producens.","Journal of natural products","2017","80","6","1827","1836","10.1021/acs.jnatprod.7b00034","","x-ray","1.54178","CuKα","K-L~3~","0.0693","0.0685","","","0.1919","0.1926","","","","","","1.059","","","","has coordinates,has disorder","234082","2020-10-21","18:00:00",""
"1553308","14.6675","0.0005","11.5099","0.0004","18.5162","0.0006","90","","104.72","0.001","90","","3023.34","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0689","0.0456","","","0.1029","0.1157","","","","","","1.04","","","","has coordinates,has disorder","234084","2020-10-21","18:00:00",""
"1553309","9.3466","0.0005","12.3756","0.0007","14.0627","0.0007","90","","98.832","0.002","90","","1607.34","0.15","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0871","0.0628","","","0.1658","0.1912","","","","","","1.047","","","","has coordinates,has disorder","234085","2020-10-21","18:00:00",""
"1553310","9.0364","0.0003","8.1877","0.0003","10.7482","0.0003","90","","101.86","0.0012","90","","778.25","0.04","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C40 H40 O4 -","2","1","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","","0.71073","MoKα","","0.0348","0.032","","","0.0789","0.0813","","","","","","1.08","","","","has coordinates","234087","2020-10-21","18:00:00",""
"1553311","9.7921","0.0016","11.467","0.0018","13.899","0.002","88.098","0.005","79.234","0.005","79.122","0.005","1505.6","0.4","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","2","","Maurent, Kelly; Vanucci-Bacqué, Corinne; Saffon-Merceron, Nathalie; Baltas, Michel; Bedos-Belval, Florence","Total Synthesis of Tedarene A.","Journal of natural products","2017","80","5","1623","1630","10.1021/acs.jnatprod.7b00199","","x-ray","0.71073","MoKα","","0.1358","0.0664","","","0.1263","0.1571","","","","","","1.047","","","","has coordinates,has disorder","234088","2020-10-21","18:00:00",""
"1553312","15.7364","0.001","19.8524","0.0013","11.454","0.0007","90","","90","","90","","3578.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Neyts, Johan; Leyssen, Pieter; Touboul, David; Litaudon, Marc; Paolini, Julien","Isolation of Premyrsinane, Myrsinane, and Tigliane Diterpenoids from Euphorbia pithyusa Using a Chikungunya Virus Cell-Based Assay and Analogue Annotation by Molecular Networking.","Journal of natural products","2017","80","7","2051","2059","10.1021/acs.jnatprod.7b00233","","","1.54187","CuKα","","0.2189","0.0604","","","0.0566","0.0817","","","","","","0.885","","","","has coordinates","234090","2020-10-21","18:00:00",""