# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T17:57:05+02:00
# 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 = 77 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
"1513355","11.7016","0.0005","13.6677","0.0006","13.7418","0.0006","90","","108.591","0.001","90","","2083.1","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","2","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0485","0.0481","","","0.132","0.1327","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513356","5.6773","0.0002","13.9911","0.0005","13.0148","0.0005","90","","95.41","0.002","90","","1029.18","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C44 H68 O10 -","2","1","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0472","0.0471","","","0.1185","0.1187","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513357","7.6925","0.0007","10.9091","0.0008","10.288","0.0008","90","","90.238","0.005","90","","863.34","0.12","132","2","132","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O5 -","- C17 H17 Cl N2 O5 -","- C34 H34 Cl2 N4 O10 -","2","1","","Jansen, Rolf; Sood, Sakshi; Huch, Volker; Kunze, Brigitte; Stadler, Marc; Müller, Rolf","Pyrronazols, Metabolites from the Myxobacteria Nannocystis pusilla and N. exedens, Are Unusual Chlorinated Pyrone-Oxazole-Pyrroles.","Journal of natural products","2014","77","2","320","326","10.1021/np400877r","","","0.71073","MoKα","","0.0393","0.0346","","","0.0841","0.0875","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513358","10.7324","0.0005","23.7833","0.0014","28.8248","0.0012","90","","90","","90","","7357.6","0.6","98.9","","98.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32.5 H52.5 Cl7.5 O3 -","- C32.5 H52.5 Cl7.5 O3 -","- C260 H420 Cl60 O24 -","8","2","","Zhou, Jian; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Li, Yan; Bao, Xiu-Qi; Chen, Xiao-Guang; Zhang, Dan; Zhang, Dong-Ming","Lupane Triterpenoids from the Stems of Euonymus carnosus.","Journal of natural products","2014","77","2","276","284","10.1021/np400851k","","","1.5418","CuKα","","0.0796","0.0636","","","0.1512","0.1659","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513359","11.2107","0.0006","11.5443","0.0006","12.1199","0.0007","90","","90","","90","","1568.55","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxyleuconoxine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0478","0.0379","","","0.0921","0.0985","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513360","10.1848","0.0002","10.362","0.0002","10.3848","0.0002","71.742","0.001","67.38","0.001","60.647","0.001","871.11","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H48 N4 O9 -","- C19 H24 N2 O4.5 -","- C38 H48 N4 O9 -","2","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0618","0.0562","","","0.1177","0.1185","","","","","","2.562","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513361","7.1721","0.0004","26.1619","0.0013","27.9882","0.0015","90","","90","","90","","5251.6","0.5","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl2 N2 O3 -","- C19 H22 N2 O3.33333 -","- C228 H264 N24 O40 -","12","3","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.1478","0.1079","","","0.2836","0.313","","","","","","1.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513362","11.4602","0.0002","11.4602","0.0002","10.0616","0.0002","90","","90","","120","","1144.41","0.04","100","2","100.15","","","","","","","","","4","P 31","P 31","144","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C57 H66 N6 O6 -","3","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.1326","0.1315","","","0.3662","0.3669","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513363","8.8855","0.0004","11.394","0.0005","14.8635","0.0007","90","","90","","90","","1504.8","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,7-dehydroleuconoxine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0433","0.0374","","","0.0929","0.0965","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513364","8.1771","0.0001","10.8938","0.0002","19.8901","0.0003","90","","90","","90","","1771.8","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconolam","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0331","0.031","","","0.0862","0.0891","","","","","","0.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513365","9.6652","0.0005","16.1799","0.0009","21.1959","0.0011","90","","90","","90","","3314.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.0409","0.0356","","","0.0877","0.0905","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513366","8.0086","0.0001","14.9302","0.0003","15.3044","0.0003","90","","94.648","0.001","90","","1823.93","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Cl2 N4 O6 -","- C39 H46 Cl2 N4 O6 -","- C78 H92 Cl4 N8 O12 -","2","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0724","0.046","","","0.0998","0.1134","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513367","6.8307","0.0005","14.3712","0.0011","15.256","0.0011","90","","90","","90","","1497.61","0.19","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O8 -","- C15 H24 O8 -","- C60 H96 O32 -","4","1","","Fruhmann, Philipp; Mikula, Hannes; Wiesenberger, Gerlinde; Varga, Elisabeth; Lumpi, Daniel; Stöger, Berthold; Häubl, Georg; Lemmens, Marc; Berthiller, Franz; Krska, Rudolf; Adam, Gerhard; Hametner, Christian; Fröhlich, Johannes","Isolation and structure elucidation of pentahydroxyscirpene, a trichothecene fusarium mycotoxin.","Journal of natural products","2014","77","1","188","192","10.1021/np4008365","","x-ray","0.71073","MoKα","","0.0405","0.0362","","","0.0472","0.0476","","","","2.83","2.83","2.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513368","29.934","0.007","7.8815","0.0016","8.732","0.003","90","","98.3","0.03","90","","2038.5","1","104.3","","104.3","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31.5 N O4.5 -","- C23 H32 N O4.5 -","- C92 H128 N4 O18 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.1754","0.1407","","","0.3467","0.377","","","","","","1.754","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513369","29.5456","0.0011","7.8704","0.0003","8.8858","0.0003","90","","96.335","0.004","90","","2053.65","0.13","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H30 N O5.5 -","- C23 H30 N O5.5 -","- C92 H120 N4 O22 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.04","0.038","","","0.0985","0.1006","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513370","10.5137","0.0004","13.1195","0.0005","15.3947","0.0006","90","","92.885","0.003","90","","2120.77","0.14","131.6","","131.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N O5.5 -","- C23 H32 N O5.5 -","- C92 H128 N4 O22 -","4","2","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.0412","0.0391","","","0.1011","0.1036","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513371","9.9972","0.0008","7.3788","0.0003","15.5846","0.001","90","","103.612","0.007","90","","1117.34","0.13","102.7","","102.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0331","0.0329","","","0.0864","0.0866","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513372","9.9909","0.0003","7.57278","0.00019","13.7572","0.0004","90","","90.46","0.003","90","","1040.82","0.05","101.5","","101.5","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0435","0.0434","","","0.1137","0.1138","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513373","6.6087","0.0005","6.6339","0.0004","27.605","0.002","90","","90","","90","","1210.24","0.15","103.1","","103.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","0.7107","MoKα","","0.1718","0.1693","","","0.4022","0.4033","","","","","","0.35","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513374","10.4726","0.006","11.2226","0.0026","11.4289","0.0021","60.65","0.017","89.832","0.034","67.745","0.036","1055.4","0.8","298","2","298","2","","","","","","","synthesis as described","3","P 1","P 1","1","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","2","","Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K.","Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus.","Journal of natural products","2014","77","1","70","78","10.1021/np4006822","","x-ray","1.54184","CuKα","","0.114","0.0913","","","0.2989","0.322","","","","","","1.416","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513375","8.1278","0.0002","6.9825","0.0002","16.1268","0.0004","90","","92.741","0.002","90","","914.19","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chao, Chih-Hua; Cheng, Ju-Chien; Shen, De-Yang; Wu, Tian-Shung","Anti-Hepatitis C Virus Dinorditerpenes from the Roots of Flueggea virosa.","Journal of natural products","2014","77","1","22","28","10.1021/np400528h","","x-ray","1.54178","CuKα","","0.0371","0.0366","","","0.103","0.1036","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514170","14.8427","0.0015","12.9239","0.0008","15.4124","0.0014","90","","118.131","0.012","90","","2607.2","0.5","98.3","","98.3","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","2","","Xia, Hong-Min; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Chen, Xiao-Guang; Zhang, Dan; Li, Li; Zhang, Dong-Ming","A,D-seco-Limonoids from the Stems of Clausena emarginata.","Journal of natural products","2014","77","4","784","791","10.1021/np400797s","","","1.5418","CuKα","","0.0497","0.0488","","","0.1331","0.1341","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514171","10.8156","0.0002","19.5038","0.0004","13.2864","0.0009","90","","93.594","0.007","90","","2797.2","0.2","153.1","","153.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29.679 H32.144 O11.107 -","- C29.6769 H32.1388 O11.1073 -","- C118.708 H128.555 O44.4292 -","4","1","","Nagasawa, Ikuko; Kaneko, Akira; Suzuki, Toshihiro; Nishio, Kazuto; Kinoshita, Kaoru; Shiro, Motto; Koyama, Kiyotaka","Potential Anti-angiogenesis Effects of p-Terphenyl Compounds from Polyozellus multiplex.","Journal of natural products","2014","77","4","963","968","10.1021/np401046z","","","1.54187","CuKα","","","0.0588","","","","0.1769","","","","","","1.057","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514172","9.6443","0.0006","4.7764","0.0003","11.5683","0.0007","90","","94.929","0.005","90","","530.92","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Cl O4 -","- C9 H13 Cl O4 -","- C18 H26 Cl2 O8 -","2","1","","Chang, Ya-Chih; Lu, Chung-Kuang; Chiang, Yin-Ru; Wang, Guei-Jane; Ju, Yu-Ming; Kuo, Yueh-Hsiung; Lee, Tzong-Huei","Diterpene Glycosides and Polyketides from Xylotumulus gibbisporus.","Journal of natural products","2014","77","4","751","757","10.1021/np400523k","","","1.54178","CuKα","","0.0544","0.0523","","","0.1409","0.146","","","","","","1.227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514173","10.8732","0.0008","6.6552","0.0005","12.7886","0.001","90","","105.053","0.006","90","","893.67","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Bautista, Elihú; Toscano, Rubén A; Ortega, Alfredo","5,10-seco-neo-Clerodanes and neo-Clerodanes from Salvia microphylla.","Journal of natural products","2014","77","4","1088","1092","10.1021/np4009893","","","0.71073","MoKα","","0.0507","0.0429","","","0.105","0.1092","","","","","","0.961","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514174","8.227","0.0007","11.0537","0.0009","18.858","0.013","90","","90","","90","","1714.9","1.2","101.8","","101.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","0.7107","MoKα","","0.0527","0.0431","","","0.083","0.087","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514175","12.8255","0.0006","11.1968","0.0004","12.6545","0.0006","90","","107.183","0.005","90","","1736.13","0.14","104","2","104","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H50 O8 -","- C40 H50 O8 -","- C80 H100 O16 -","2","0.5","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","1.54184","CuKα","","0.0366","0.0355","","","0.0963","0.0976","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514176","4.3655","0.0006","49.452","0.005","8.9782","0.0011","90","","91.731","0.013","90","","1937.4","0.4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.5418","CuKα","","0.0821","0.0699","","","0.1724","0.1867","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514177","4.5279","0.0001","15.4658","0.0003","19.9377","0.0003","90","","90","","90","","1396.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.54178","CuKα","","0.0278","0.0255","","","0.0714","0.073","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514178","21.945","0.004","15.45","0.003","10.384","0.002","90","","103.603","0.004","90","","3421.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","0.71073","MoKα","","0.1263","0.056","","","0.133","0.1601","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514179","8.3424","0.0018","11.46","0.002","16.107","0.003","90","","90","","90","","1539.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","0.71073","MoKα","","0.0597","0.0408","","","0.0814","0.0887","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514180","6.9978","0.0003","11.1764","0.0005","20.4376","0.0009","90","","98.054","0.002","90","","1582.66","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O5 -","- C34 H52 O5 -","- C68 H104 O10 -","2","1","","Peng, Xing-Rong; Liu, Jie-Qing; Wang, Cui-Fang; Li, Xu-Yang; Shu, Yi; Zhou, Lin; Qiu, Ming-Hua","Hepatoprotective Effects of Triterpenoids from Ganoderma cochlear.","Journal of natural products","2014","77","4","737","743","10.1021/np400323u","","","1.54178","CuKα","","0.0416","0.041","","","0.1177","0.1186","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514262","10.48171","0.00011","13.11257","0.00016","30.7357","0.0004","90","","90","","90","","4224.38","0.09","99.3","","99.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C176 H272 O40 -","8","2","","Li, Hui; Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Labdane Diterpenoids from Lagopsis supina.","Journal of natural products","2014","77","4","1047","1053","10.1021/np5001329","","","1.5418","CuKα","","0.0372","0.0357","","","0.0911","0.0925","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514342","10.4173","0.0002","12.2196","0.0002","29.6743","0.0006","90","","90","","90","","3777.4","0.12","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O4.5 -","- C20 H33 O4.5 -","- C160 H264 O36 -","8","2","","Liu, Cui-Ping; Xu, Jin-Biao; Zhao, Jin-Xin; Xu, Cheng-Hui; Dong, Lei; Ding, Jian; Yue, Jian-Min","Diterpenoids from Croton laui and Their Cytotoxic and Antimicrobial Activities.","Journal of natural products","2014","77","4","1013","1020","10.1021/np500042c","","","1.54178","CuKα","","0.0421","0.0395","","","0.1065","0.1087","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514363","9.6584","0.0004","19.8105","0.0008","11.0401","0.0006","90","","109.791","0.002","90","","1987.62","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 N6 O8 -","- C37 H55 N6 O8 -","- C74 H110 N12 O16 -","2","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.0543","0.0479","","","0.1263","0.1321","","","","","","0.995","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514364","10.2134","0.0009","15.7979","0.0016","24.297","0.003","90","","90","","90","","3920.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 N5 O9 -","- C36 H57 N5 O9 -","- C144 H228 N20 O36 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.2507","0.1008","","","0.1984","0.326","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514365","9.3052","0.0006","17.0969","0.0011","23.5305","0.0015","90","","90","","90","","3743.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 O8 -","- C35 H55 N5 O8 -","- C140 H220 N20 O32 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.1172","0.069","","","0.1566","0.195","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516020","15.2751","0.0003","8.0457","0.0002","15.9079","0.0003","90","","116.395","0.001","90","","1751.25","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H60 O12 -","- C36 H60 O12 -","- C72 H120 O24 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0472","0.0468","","","0.1362","0.1368","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516021","7.3172","0.0001","23.8986","0.0003","40.6627","0.0005","90","","90","","90","","7110.72","0.16","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H63 O12 -","- C36.5 H63 O12 -","- C292 H504 O96 -","8","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0382","0.0344","","","0.086","0.089","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516022","7.1558","0.0003","12.8203","0.0004","21.033","0.0007","85.657","0.002","88.636","0.002","77.863","0.002","1880.95","0.12","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C36.5 H68 O15.5 -","- C36.5 H62 O15.5 -","- C73 H124 O31 -","2","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0479","0.0477","","","0.1226","0.123","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516023","11.2093","0.0003","38.8302","0.0009","7.2838","0.0002","90","","90","","90","","3170.34","0.14","140","2","140","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H60 O10 -","- C32 H50 O10 -","- C128 H200 O40 -","4","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0844","0.0822","","","0.2311","0.2343","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516024","15.2138","0.0003","8.0132","0.0002","16.3249","0.0003","90","","116.964","0.001","90","","1773.84","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H58 O10 -","- C36 H58 O10 -","- C72 H116 O20 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.037","0.0364","","","0.1031","0.1038","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516115","8.5089","0.0002","9.1505","0.0002","12.5241","0.0002","90","","96.049","0.002","90","","969.71","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15S,16R,21S)-(-)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.031","0.0301","","","0.0787","0.0801","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516116","8.6828","0.0002","21.4082","0.0004","11.2277","0.0002","90","","90","","90","","2087.04","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(±)-andransinine","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0372","0.0352","","","0.0908","0.0923","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516117","8.4914","0.001","9.1548","0.0011","12.4788","0.0015","90","","95.838","0.003","90","","965","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Plus,minus)-andransinine (racemic conglomerate)","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0413","0.0373","","","0.0902","0.0932","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516118","39.082","0.004","8.588","0.0011","24.128","0.003","90","","105.802","0.007","90","","7792.2","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(±)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C368 H448 N32 O48 -","16","2","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.1933","0.0573","","","0.0949","0.1292","","","","","","0.766","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516119","8.5096","0.0001","9.1538","0.0001","12.5333","0.0001","90","","96.03","0.001","90","","970.882","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15R,16S,21R)-(+)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.0349","0.0347","","","0.0908","0.0911","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516470","7.3028","0.0003","13.9746","0.0013","16.4665","0.0012","90","","90","","90","","1680.5","0.2","99.8","","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","","1.5418","CuKα","","0.035","0.0344","","","0.0882","0.0888","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516471","7.2054","0.0003","8.0628","0.0003","31.8423","0.0011","90","","90","","90","","1849.9","0.12","97.2","0.1","97.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0945","0.0967","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516595","9.9116","0.0002","7.094","0.0001","26.0972","0.0005","90","","94.539","0.001","90","","1829.21","0.06","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-((3S,4aR,5S,6S,7R,8S)-4a,5,6,7,8-pentahydroxy-2,2-dimethyl-7- (3-methylbut-3-en-1-yn-1-yl)octahydro-2H-chromen-3-yl)ethanone","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","2","","Yurchenko, Anton N.; Smetanina, Olga F.; Kalinovsky, Anatoly I.; Pushilin, Michael A.; Glazunov, Valeriy P.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Ermakova, Svetlana P.; Dyshlovoy, Sergey A.; Yurchenko, Ekaterina A.; Afiyatullov, Shamil Sh","Oxirapentyns F-K from the Marine-Sediment-Derived Fungus Isaria felina KMM 4639.","Journal of natural products","2014","77","6","1321","1328","10.1021/np500014m","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0871","0.0906","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516596","9.1403","0.0002","12.3986","0.0003","15.0582","0.0004","90","","90","","90","","1706.5","0.07","292.11","0.1","292.11","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Chen, Jian-Jun; Chen, Chao-Jun; Yao, Xiao-Jun; Jin, Xiao-Jie; Gao, Kun","Eremophilane-Type Sesquiterpenoids with Diverse Skeletons from Ligularia sagitta.","Journal of natural products","2014","77","6","1329","1335","10.1021/np5003302","","","1.5418","CuKα","","0.035","0.0344","","","0.0954","0.0962","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516605","13.9471","0.0018","8.2238","0.001","19.675","0.002","90","","93.918","0.003","90","","2251.4","0.5","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","1","","Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M.","Diterpenes from the Endangered Goldenrod Solidago shortii.","Journal of natural products","2014","77","6","1438","1444","10.1021/np500178s","","","0.71073","MoKα","","0.0616","0.0507","","","0.1184","0.1269","","","","","","1.003","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516618","11.2634","0.0003","15.8807","0.0005","21.1556","0.0014","90","","90","","90","","3784.1","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42.4 O13.2 -","- C35 H42.4 O13.2 -","- C140 H169.6 O52.8 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0674","0.0447","","","0.0897","0.1055","","","","","","0.965","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516619","11.3186","0.0003","15.8687","0.0004","20.1536","0.0014","90","","101.153","0.007","90","","3551.5","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H44 O13 -","- C32 H44 O13 -","- C128 H176 O52 -","4","2","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1623","0.064","","","0.1477","0.2267","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516620","12.868","0.002","14.089","0.003","17.366","0.003","90","","90","","90","","3148.4","1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C120 H160 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1468","0.0998","","","0.1929","0.2318","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516621","13.373","0.0002","14.2814","0.0002","17.794","0.0012","90","","90","","90","","3398.4","0.2","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O13 -","- C33 H44 O13 -","- C132 H176 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0393","0.033","","","0.0779","0.0893","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516622","21.4292","0.0006","21.4292","0.0006","21.4162","0.0006","90","","90","","120","","8517","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C30 H28 O13 -","- C30 H28 O13 -","- C360 H336 O156 -","12","1","","Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas","Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei.","Journal of natural products","2014","77","6","1494","1504","10.1021/np5002785","","x-ray","1.2399","synchrotron","","0.0501","0.0377","","","0.0825","0.0889","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516798","6.2502","0.00011","7.11208","0.00013","31.0868","0.0006","90","","90","","90","","1381.87","0.04","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","1.54187","CuKα","","0.0254","0.0235","","","0.0594","0.0612","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516799","14.899","0.003","5.697","0.0011","17.092","0.005","90","","93.694","0.007","90","","1447.7","0.6","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 Br3 O6 -","- C32 H25 Br3 O6 -","- C64 H50 Br6 O12 -","2","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","0.71075","MoKα","","","0.066","","","","0.1287","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516826","9.264","0.0001","10.161","0.0003","30.399","0.0007","90","","90","","90","","2861.5","0.11","298","2","298","2","","","","","","","Ganoderma sp. KM01","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone C","","","- C32 H46 O6 -","- C32 H46 O6 -","- C128 H184 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","x-ray","0.71073","MoKα","","0.087","0.0538","","","0.1181","0.1334","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516827","7.304","0.0003","15.576","0.0008","11.301","0.0006","90","","100.378","0.003","90","","1264.65","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.0424","0.0378","","","0.0911","0.0949","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516828","7.13","0.0003","15.575","0.0011","22.969","0.0015","90","","90","","90","","2550.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone H","","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.057","0.0425","","","0.0964","0.1097","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517227","9.5701","0.0004","7.9131","0.0003","13.6352","0.0006","90","","108.404","0.005","90","","979.77","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N3 -","- C23 H19 Cl2 N3 -","- C46 H38 Cl4 N6 -","2","1","","Zhang, Wenjun; Ma, Liang; Li, Sumei; Liu, Zhong; Chen, Yuchan; Zhang, Haibo; Zhang, Guangtao; Zhang, Qingbo; Tian, Xinpeng; Yuan, Chengshan; Zhang, Si; Zhang, Weimin; Zhang, Changsheng","Indimicins A-E, Bisindole Alkaloids from the Deep-Sea-Derived Streptomyces sp. SCSIO 03032.","Journal of natural products","2014","77","8","1887","","10.1021/np500362p","","","1.54184","CuKα","","0.0373","0.0324","","","0.0787","0.0822","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517272","7.7279","0.0012","7.7892","0.0009","17.775","0.003","90","","92.256","0.005","90","","1069.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Pudhom, Khanitha; Teerawatananond, Thapong","Rhytidenones A-F, Spirobisnaphthalenes from Rhytidhysteron sp. AS21B, an Endophytic Fungus.","Journal of natural products","2014","77","8","1962","","10.1021/np500068y","","","0.71073","MoKα","","0.0546","0.0396","","","0.0961","0.1204","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517372","8.5098","0.0002","12.702","0.0003","25.9391","0.0004","90","","90","","90","","2803.8","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C120 H200 O16 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0504","0.0453","","","0.1196","0.1256","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517373","16.5653","0.0002","7.6049","0.0001","23.1068","0.0003","90","","98.408","0.001","90","","2879.65","0.06","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50.5 N0.5 O4.5 -","- C31 H49.5 N0.5 O4.5 -","- C124 H198 N2 O18 -","4","2","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0576","0.0545","","","0.1537","0.1582","","","","","","0.928","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517374","7.6982","0.0012","19.44","0.003","21.085","0.003","90","","90","","90","","3155.4","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C120 H192 O24 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.1459","0.1279","","","0.3179","0.3386","","","","","","1.407","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517375","8.6352","0.0001","9.5547","0.0001","22.1075","0.0003","90","","96.19","","90","","1813.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","2","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0749","0.075","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517376","9.5101","0.0002","13.9479","0.0003","14.2836","0.0003","90","","90","","90","","1894.66","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0332","0.033","","","0.084","0.0842","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517377","10.41133","0.00012","16.7811","0.00018","19.4871","0.0002","90","","90","","90","","3404.66","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C160 H208 N16 O8 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0289","0.0281","","","0.0721","0.0729","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517378","12.5408","0.0001","12.5941","0.0001","21.8561","0.0003","90","","90","","90","","3451.95","0.06","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0339","0.0319","","","0.0763","0.0779","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517379","9.5735","0.0002","9.44199","0.00019","10.4447","0.0002","90","","109.162","0.002","90","","891.82","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.028","0.0276","","","0.0724","0.0728","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517380","7.67421","0.00012","12.52462","0.00016","9.64312","0.00018","90","","100.659","0.0017","90","","910.87","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0662","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517381","8.13883","0.00013","10.17692","0.00016","21.8799","0.0003","90","","90","","90","","1812.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0277","0.0275","","","0.0738","0.0742","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517382","7.2595","0.0007","7.5636","0.0005","36.246","0.003","90","","90","","90","","1990.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O7 S2 -","- C19 H20 N2 O7 S2 -","- C76 H80 N8 O28 S8 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","0.71073","MoKα","","0.098","0.065","","","0.1352","0.1595","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517383","16.7824","0.0011","8.1768","0.0004","7.5091","0.0003","90","","107.502","0.002","90","","982.74","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O6 S2 -","- C18 H20 N2 O6 S2 -","- C36 H40 N4 O12 S4 -","2","0.5","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","1.54178","CuKα","","0.0699","0.0536","","","0.1394","0.1465","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517384","8.99959","0.00015","9.16301","0.00014","15.8136","0.0003","90","","100.223","0.0017","90","","1283.34","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O9 -","- C28 H36 O9 -","- C56 H72 O18 -","2","1","","Fu, Ying; Wu, Ping; Xue, Jinghua; Wei, Xiaoyi","Cytotoxic and Antibacterial Quinone Sesquiterpenes from a Myrothecium Fungus.","Journal of natural products","2014","77","8","1791","","10.1021/np500142g","","","1.54184","CuKα","","0.032","0.0299","","","0.0763","0.0785","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517403","9.18695","0.00015","9.48126","0.00017","21.1713","0.0003","82.38","0.0014","83.5029","0.0013","79.8305","0.0014","1791.47","0.05","120","0.2","120","0.2","","","","","","","","4","P 1","P 1","1","","","","- C35 H35 O17.5 S1.5 -","- C35 H35 O17.5 S1.5 -","- C70 H70 O35 S3 -","2","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0531","0.0496","","","0.1394","0.1451","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517404","5.66941","0.00019","10.876","0.0004","23.9077","0.0007","90","","90","","90","","1474.16","0.09","110.02","0.1","110.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.033","0.0313","","","0.0765","0.0779","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517405","6.16471","0.00007","11.40078","0.00015","23.0795","0.0003","90","","90","","90","","1622.09","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O10 -","- C17 H20 O10 -","- C68 H80 O40 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0283","0.0265","","","0.0653","0.0672","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517406","7.9773","0.0001","20.0228","0.0003","20.8545","0.0003","90","","90","","90","","3331.05","0.08","119.99","0.18","119.99","0.18","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.54184","CuKα","","0.0335","0.0303","","","0.0704","0.0725","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517411","12.1699","0.001","12.3165","0.0016","24.075","0.003","90","","90","","90","","3608.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 O12 -","- C37 H52 O12 -","- C148 H208 O48 -","4","1","","Sarigaputi, Chanin; Sommit, Damrong; Teerawatananond, Thapong; Pudhom, Khanitha","Weakly Anti-inflammatory Limonoids from the Seeds of Xylocarpus rumphii.","Journal of natural products","2014","77","9","2037","2043","10.1021/np5003687","","","0.71073","MoKα","","0.075","0.054","","","0.1545","0.1888","","","","","","0.774","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517804","12.9465","0.0004","14.7156","0.0005","15.0171","0.0005","89.616","0.003","73.336","0.003","78.252","0.003","2679.35","0.16","97.5","","97.5","","","","","","","","","3","P 1","P 1","1","","","","- C30 H48 O7 -","- C30 H48 O7 -","- C120 H192 O28 -","4","4","","Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Huang, Zheng; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Ursane- and Oleanane-Type Triterpenoids from Vitex negundo var. cannabifolia.","Journal of natural products","2014","77","10","2248","2254","10.1021/np500509q","","","1.5418","CuKα","","0.0635","0.0625","","","0.1654","0.1672","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517805","12.3961","0.0001","12.9688","0.0001","13.7957","0.0001","90","","90","","90","","2217.83","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Peng, Jixing; Gao, Huquan; Zhang, Xiaomin; Wang, Shuai; Wu, Chongming; Gu, Qianqun; Guo, Peng; Zhu, Tianjiao; Li, Dehai","Psychrophilins E-H and Versicotide C, Cyclic Peptides from the Marine-Derived Fungus Aspergillus versicolor ZLN-60.","Journal of natural products","2014","77","10","2218","2223","10.1021/np500469b","","","1.54184","CuKα","","0.0278","0.0272","","","0.0768","0.0774","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517839","11.559","0.002","15.64","0.003","21.53","0.004","90","","90","","90","","3892.3","1.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 N6 O10 -","- C39 H52 N6 O10 -","- C156 H208 N24 O40 -","4","1","","Goodreid, Jordan D.; Wong, Keith; Leung, Elisa; McCaw, Shannon E.; Gray-Owen, Scott D; Lough, Alan; Houry, Walid A.; Batey, Robert A.","Total Synthesis and Antibacterial Testing of the A54556 Cyclic Acyldepsipeptides Isolated from Streptomyces hawaiiensis.","Journal of natural products","2014","77","10","2170","2181","10.1021/np500158q","","","1.54178","CuKα","","0.0336","0.033","","","0.089","0.0896","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517890","10.369","0.007","5.883","0.009","12.35","0.008","90","","102.52","0.01","90","","735.4","1.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N0 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Yin, Guo-Ping; Li, Liang-Chun; Zhang, Qing-Zhe; An, Yue-Wei; Zhu, Jing-Jing; Wang, Zhi-Min; Chou, Gui-Xin; Wang, Zheng-Tao","iNOS Inhibitory Activity of Sesquiterpenoids and a Monoterpenoid from the Rhizomes of Curcuma wenyujin.","Journal of natural products","2014","77","10","2161","2169","10.1021/np400984c","","","1.54178","CuKα","","0.0569","0.0538","","","0.1478","0.1565","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517896","11.536","0.0002","19.2745","0.0003","8.1119","0.0001","90","","90","","90","","1803.69","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Alstoumerine oxindole","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.067","0.0444","","","0.0815","0.0912","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517897","9.7811","0.0007","12.2584","0.0008","17.0772","0.0013","90","","90","","90","","2047.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstonoxine E","","","- C19 H25 Cl3 N2 O3 -","- C19 H25 Cl3 N2 O3 -","- C76 H100 Cl12 N8 O12 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.0672","0.0487","","","0.1142","0.1253","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517898","6.2545","0.0004","8.1557","0.0006","34.847","0.002","90","","90","","90","","1777.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wang, Song; Li, Rui-Juan; Zhu, Rong-Xiu; Hu, Xiao-Yan; Guo, Yan-Xia; Zhou, Jin-Chuan; Lin, Zhao-Min; Zhang, Jiao-Zhen; Wu, Jing-Yi; Kang, Ya-Qi; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Yuan, Hui-Qing; Lou, Hong-Xiang","Notolutesins A-J, Dolabrane-Type Diterpenoids from the Chinese Liverwort Notoscyphus lutescens.","Journal of natural products","2014","77","9","2081","2087","10.1021/np5004559","","","0.71069","MoKα","","0.0553","0.0472","","","0.1409","0.1496","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518063","8.5383","0.0005","5.9356","0.0004","27.0049","0.0016","90","","92.912","0.005","90","","1366.84","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1249","0.1218","","","0.3002","0.3028","","","","","","1.337","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518064","5.9098","0.0001","14.8542","0.0002","15.2437","0.0002","90","","90","","90","","1338.17","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0297","0.029","","","0.0752","0.076","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518065","5.9203","0.0003","16.7817","0.0008","13.9222","0.0007","90","","92.625","0.005","90","","1381.76","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1201","0.0708","","","0.1125","0.1371","","","","","","1.03","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518066","7.1266","0.0004","11.183","0.0005","8.7503","0.0005","90","","105.47","0.006","90","","672.11","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0568","0.0509","","","0.1136","0.1178","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518067","14.368","0.0006","5.5232","0.0002","16.9484","0.0007","90","","104.156","0.004","90","","1304.14","0.09","149","2","149","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.0441","0.0402","","","0.0945","0.0974","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518087","9.1808","0.0003","11.2481","0.0003","16.7513","0.0005","90","","90","","90","","1729.85","0.09","100.1","0.6","100.1","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tronoharine","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Sim, Dawn Su-Yin; Chong, Kam-Weng; Nge, Choy-Eng; Low, Yun-Yee; Sim, Kae-Shin; Kam, Toh-Seok","Cytotoxic vobasine, tacaman, and corynanthe-tryptamine bisindole alkaloids from Tabernaemontana and structure revision of tronoharine.","Journal of natural products","2014","77","11","2504","2512","10.1021/np500589u","","","0.71073","MoKα","","0.035","0.0327","","","0.0849","0.0868","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518281","15.5983","0.0006","12.4215","0.0003","16.8136","0.0007","90","","117.23","0.005","90","","2896.7","0.2","200","","200","","","","","","","","see text","3","P 1 21 1","P 2yb","4","Vaticanol B permethyl analog","","","- C66 H62 O12 -","- C66 H62 O12 -","- C132 H124 O24 -","2","1","","Davis, Rohan A.; Beattie, Karren D.; Xu, Min; Yang, Xinzhou; Yin, Sheng; Holla, Harish; Healy, Peter C.; Sykes, Melissa; Shelper, Todd; Avery, Vicky M.; Elofsson, Mikael; Sundin, Charlotta; Quinn, Ronald J.","Solving the Supply of Resveratrol Tetramers from Papua New Guinean Rainforest Anisoptera Species That Inhibit Bacterial Type III Secretion Systems.","Journal of natural products","2014","77","12","2633","2640","10.1021/np500433z","","x-ray","0.7107","MoKα","","0.1173","0.0572","","","0.1337","0.1498","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518374","15.1825","0.0012","5.2022","0.0004","14.7674","0.0012","90","","111.728","0.002","90","","1083.5","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","1","","Kim, Hiyoung; Yang, Inho; Patil, Rahul S.; Kang, Sinwoo; Lee, Jihye; Choi, Hyukjae; Kim, Min-Sun; Nam, Sang-Jip; Kang, Heonjoong","Anithiactins A-C, Modified 2-Phenylthiazoles from a Mudflat-Derived Streptomyces sp.","Journal of natural products","2014","77","12","2716","2719","10.1021/np500558b","","","0.71073","MoKα","","0.1498","0.0521","","","0.1144","0.1957","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518375","7.4066","0.0002","9.4215","0.0003","17.4684","0.0005","90","","90","","90","","1218.97","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C52 H52 Cl4 O12 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0222","0.0216","","","0.0568","0.057","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518376","8.3051","0.0002","9.8097","0.0002","15.5103","0.0003","90","","90","","90","","1263.63","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0288","0.027","","","0.0661","0.0718","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518377","7.8491","0.0004","6.205","0.0004","11.2346","0.0006","90","","95.747","0.003","90","","544.42","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0243","0.0242","","","0.0638","0.0639","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556098","11.2339","0.0003","6.2411","0.0002","11.7846","0.0003","90","","116.682","0.001","90","","738.26","0.04","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 Br2 Cl3 O -","- C10 H15 Br2 Cl3 O -","- C20 H30 Br4 Cl6 O2 -","2","1","","Motti, Cherie A.; Thomas-Hall, Peter; Hagiwara, Kehau A.; Simmons, Charles J.; Willis, Rick; Wright, Anthony D.","Accelerated identification of halogenated monoterpenes from Australian specimens of the red algae Plocamium hamatum and Plocamium costatum.","Journal of natural products","2014","77","5","1193","1200","10.1021/np500059h","","","0.71069","MoKα","","","0.0374","","","","0.0419","","","","","","1.053","","","","has coordinates","243461","2020-10-21","18:00:00",""