# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T07:09:45+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 = 75 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
"1503459","8.90851","0.00016","15.3789","0.0003","12.3961","0.0009","90","","102.989","0.007","90","","1654.85","0.14","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","2","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0314","","","","0.081","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503460","5.68762","0.0001","13.586","0.0003","24.108","0.0017","90","","90","","90","","1862.87","0.14","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0313","","","","0.0792","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503461","8.4841","0.0006","35.0879","0.0006","12.7693","0.0009","90","","109.561","0.008","90","","3581.9","0.4","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21.25 H20.69 O6.1 -","- C21.25 H20.6935 O6.09675 -","- C170 H165.548 O48.774 -","8","4","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0847","","","","0.231","","","","","","1.048","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503462","5.205","0.0003","18.0275","0.001","8.0225","0.0006","90","","92.299","0.007","90","","752.17","0.08","153.1","","153.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C40 H32 O10 -","2","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0353","","","","0.0897","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503463","11.5565","0.0007","14.6892","0.001","22.021","0.0015","90","","90","","90","","3738.2","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 N O8 -","- C41 H53 N O8 -","- C164 H212 N4 O32 -","4","1","","Long, Christophe; Beck, Joséphine; Cantagrel, Frédéric; Marcourt, Laurence; Vendier, Laure; David, Bruno; Plisson, Fabien; Derguini, Fadila; Vandenberghe, Isabelle; Aussagues, Yannick; Ausseil, Frédéric; Lavaud, Catherine; Sautel, François; Massiot, Georges","Proteasome Inhibitors from Neoboutonia melleri.","Journal of natural products","2012","75","1","34","47","10.1021/np200441h","","","0.71073","MoKα","","0.0558","0.0394","","","0.0972","0.1086","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503464","17.48","0.04","7.99","0.018","12.93","0.03","90","","132.34","0.03","90","","1335","5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Asperolide A","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.1361","0.0922","","","0.2362","0.2889","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503465","7.7085","0.0015","9.851","0.002","10.445","0.002","80.9","0.03","69.55","0.03","67.39","0.03","685.8","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","wentilactone B","","","- C16 H18 O5 -","- C16 H18 O5 -","- C32 H36 O10 -","2","2","","Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui","Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48.","Journal of natural products","2012","75","2","148","152","10.1021/np2006742","","","0.71073","MoKα","","0.0787","0.0731","","","0.2007","0.2101","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503466","12.48","0.003","13.14","0.003","21.92","0.004","90","","90","","90","","3594.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide A","","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","1","","Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.","Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.","Journal of natural products","2012","75","2","175","180","10.1021/np2007044","","","0.9177","Synchrotron","","0.0531","0.0497","","","0.1287","0.1315","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503467","10.9243","0.0019","7.6452","0.0013","13.624","0.002","90","","92.005","0.003","90","","1137.2","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0873","0.0502","","","0.1103","0.1287","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503468","7.9956","0.0008","12.2939","0.0013","11.3263","0.0011","90","","91.511","0.002","90","","1112.96","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C50 H52 N4 O10 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M.","Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids.","Journal of natural products","2012","75","2","181","188","10.1021/np200759h","","","0.71073","MoKα","","0.0457","0.0395","","","0.1059","0.1118","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503469","5.6703","0.001","10.858","0.002","23.955","0.004","90","","90","","90","","1474.9","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0487","0.0357","","","0.0813","0.0879","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503470","5.3587","0.0011","13.167","0.003","11.052","0.002","90","","99.957","0.004","90","","768.1","0.3","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O8 -","- C16 H22 O9 -","- C32 H44 O18 -","2","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0382","0.0327","","","0.0833","0.0876","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503471","8.3669","0.0006","17.2652","0.0012","20.0508","0.0014","90","","90","","90","","2896.5","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju","Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum.","Journal of natural products","2012","75","2","275","279","10.1021/np200789s","","","0.71073","MoKα","","0.0436","0.0409","","","0.095","0.0968","","","","","","1.09","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507563","7.274","0.008","5.066","0.006","17.43","0.02","90","","98.53","0.03","90","","635.2","1.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","0.71073","MoKα","","0.1044","0.071","","","0.1596","0.172","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507564","10.6276","0.0004","17.6706","0.0006","12.8917","0.0004","90","","104.187","0.002","90","","2347.17","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H60 N6 O9 -","- C53 H60 N6 O9 -","- C106 H120 N12 O18 -","2","1","","Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H.","Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans.","Journal of natural products","2012","75","4","707","715","10.1021/np2009994","","","1.54178","CuKα","","0.0316","0.0316","","","0.0845","0.0845","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1507661","14.5059","0.0002","14.8002","0.0002","22.4594","0.0003","90","","90","","90","","4821.81","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Perhentinine dimethyl diiodide salt","","","- C45 H58 I2 N4 O5 -","- C45 H66 I1.851 N4 O9 -","- C180 H264 I7.404 N16 O36 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","0.71073","MoKα","","0.0695","0.0634","","","0.1921","0.1989","","","","","","1.591","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507662","30.173","0.004","6.7184","0.0006","18.895","0.002","90","","108.475","0.014","90","","3632.9","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Macralstonine","","","- C43 H52 N4 O5 -","- C43 H52 N4 O5 -","- C172 H208 N16 O20 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","1.54184","CuKα","","0.0947","0.072","","","0.1869","0.2054","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507802","14.3257","0.0004","14.3257","0.0004","11.4299","0.0003","90","","90","","90","","2345.71","0.11","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H37 N O5 -","- C25 H37 N O5 -","- C100 H148 N4 O20 -","4","1","","Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang","Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum.","Journal of natural products","2012","75","6","1076","1082","10.1021/np200960z","","","1.54178","CuKα","","0.0384","0.0382","","","0.1038","0.104","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507803","8.8157","0.0003","10.5756","0.0003","12.1409","0.0004","70.485","0.001","73.325","0.001","86.945","0.001","1020.89","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Cl2 O6 -","- C22 H14 O6 -","- C44 H28 O12 -","2","1","","Podlesny, Erin E.; Kozlowski, Marisa C.","Structural reassignment of a marine metabolite from a binaphthalenetetrol to a tetrabrominated diphenyl ether.","Journal of natural products","2012","75","6","1125","1129","10.1021/np300141t","","","0.71073","MoKα","","0.065","0.0611","","","0.1669","0.1695","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507804","12.49951","0.00014","13.38735","0.00014","14.86156","0.00015","90","","99.9697","0.0011","90","","2449.31","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C49 H69 N7 O10 -","- C49 H68.8 N7 O10 -","- C98 H137.6 N14 O20 -","2","1","","Chen, Ziming; Song, Yongxiang; Chen, Yuchan; Huang, Hongbo; Zhang, Weimin; Ju, Jianhua","Cyclic Heptapeptides, Cordyheptapeptides C-E, from the Marine-Derived Fungus Acremonium persicinum SCSIO 115 and Their Cytotoxic Activities.","Journal of natural products","2012","75","6","1215","1219","10.1021/np300152d","","","1.5418","CuKα","","0.0543","0.0426","","","0.1061","0.119","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507805","4.632","0.003","11.982","0.007","29.48","0.02","90","","90","","90","","1636.2","1.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cimmino, Alessio; Andolfi, Anna; Zonno, Maria C.; Troise, Ciro; Santini, Antonello; Tuzi, Angela; Vurro, Maurizio; Ash, Gavin; Evidente, Antonio","Phomentrioloxin: A Phytotoxic Pentasubstituted Geranylcyclohexentriol Produced by Phomopsis sp., a Potential Mycoherbicide for Carthamus lanatus Biocontrol.","Journal of natural products","2012","75","6","1130","1137","10.1021/np300200j","","","0.71073","MoKα","","0.0897","0.0546","","","0.1037","0.1161","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507806","14.374","0.006","7.464","0.006","15.053","0.007","90","","116.024","0.008","90","","1451.3","1.5","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O5 -","- C32 H51 O5 -","- C64 H102 O10 -","2","1","","Xiong, Liang; Zhu, Mei; Zhu, Chenggeng; Lin, Sheng; Yang, Yongchun; Shi, Jiangong","Structure and Bioassay of Triterpenoids and Steroids Isolated from Sinocalamus affinis.","Journal of natural products","2012","75","6","1160","1166","10.1021/np300259s","","","1.54187","CuKα","","0.0555","0.0498","","","0.1312","0.1391","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507807","11.145","0.003","14.533","0.005","16.506","0.004","90","0","90","0","90","0","2673.5","1.3","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54187","CuKα","","0.0488","0.0457","","","0.111","0.1151","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507808","7.031","0.005","7.138","0.008","17.97","0.012","90","","90","","90","","901.9","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54178","CuKα","","0.0364","0.0346","","","0.0935","0.0991","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507809","10.6034","0.0005","6.2661","0.0003","18.0594","0.0008","90","","107.232","0.003","90","","1146.04","0.09","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O8 -","- C28 H24 O8 -","- C56 H48 O16 -","2","1","","Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta","Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition.","Journal of natural products","2012","75","6","1177","1183","10.1021/np300295h","","","1.54187","CuKα","","","0.0823","","","","0.2682","","","","","","1.129","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508273","10.6167","0.0002","10.7288","0.0002","21.4811","0.0004","90","","90","","90","","2446.79","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0427","0.0405","","","0.1045","0.107","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508274","11.2839","0.0002","10.5826","0.0002","22.4195","0.0004","90","","95.031","0.002","90","","2666.87","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C59 H70 O18 -","- C59 H70 O18 -","- C118 H140 O36 -","2","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0421","0.0398","","","0.1077","0.1103","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508275","6.234","0.0012","11.064","0.002","22.677","0.005","90","","90","","90","","1564.1","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","","Feng, Yu; Wang, Lin; Niu, Shubin; Li, Li; Si, Yikang; Liu, Xingzhong; Che, Yongsheng","Naphthalenones from a Perenniporia sp. Inhabiting the Larva of a Phytophagous Weevil, Euops chinesis.","Journal of natural products","2012","75","7","1339","1345","10.1021/np300263u","","","0.71073","MoKα","","0.0765","0.0387","","","0.0717","0.0814","","","","","","0.517","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508276","8.245","0.0002","10.6777","0.0003","36.1362","0.0014","90","","90","","90","","3181.35","0.17","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 O7 Si2 -","- C27 H47.552 O7 Si1.998 -","- C108 H190.208 O28 Si7.992 -","4","1","","Chambers, Jennifer M.; Huang, David C. S.; Lindqvist, Lisa M.; Savage, G. Paul; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of 2‴,5‴-diepisilvestrol and its c1‴ epimer: key structure activity relationships at c1‴ and c2‴.","Journal of natural products","2012","75","8","1500","1504","10.1021/np300376f","","","1.5418","CuKα","","0.048","0.0436","","","0.1165","0.1208","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508554","8.0388","0.0002","11.6016","0.0002","14.5562","0.0003","90","","90","","90","","1357.55","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0312","0.0306","","","0.0819","0.0824","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508555","6.1878","0.0001","12.2291","0.0002","18.9781","0.0002","90","","90","","90","","1436.1","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0291","0.0285","","","0.0783","0.0791","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508556","5.9952","0.0002","17.2742","0.0003","7.1081","0.0002","90","","112.765","0.003","90","","678.79","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C30 H56 O6 -","2","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0629","0.0626","","","0.1686","0.1694","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508557","7.9289","0.0002","9.7894","0.0002","19.0738","0.0004","90","","90","","90","","1480.49","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0459","0.0419","","","0.1106","0.1158","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508558","7.2909","0.0002","7.7433","0.0001","24.0515","0.0004","90","","90","","90","","1357.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.036","0.0355","","","0.0955","0.0962","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508559","9.68","0.001","7.53","0.001","13.01","0.001","90","","100.58","0.01","90","","932.18","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)2-deoxy,2-acetyloryzalexin S","","- C22 H34 O2 -","- C22 H34 O2 -","- C44 H68 O4 -","2","1","","Leonelli, Francesca; Latini, Valentina; Trombetta, Andrea; Bartoli, Gabriele; Ceccacci, Francesca; La Bella, Angela; Sferrazza, Alessio; Lamba, Doriano; Migneco, Luisa M.; Bettolo, Rinaldo Marini","Regio- and diastereoselective synthesis and X-ray structure determination of (+)-2-deoxyoryzalexin S from (+)-podocarpic acid. Structural nonidentity with its nominal natural isolated enantiomer.","Journal of natural products","2012","75","11","1944","1950","10.1021/np300518j","","","0.9","SynchrotronRadiation","","0.1","0.0994","","","0.361","0.3614","","","","","","1.988","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508560","10.0493","0.0012","10.0493","0.0012","17.167","0.004","90","","90","","90","","1733.7","0.5","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C72 H88 Cl4 N4 O20 -","4","1","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of zephyranthes Candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","0.71073","MoKα","","0.117","0.0745","","","0.1339","0.1496","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508561","9.336","0.005","9.701","0.005","19.187","0.011","90","","100.441","0.017","90","","1709","1.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H46 O9 -","- C36.5 H44 O8.5 -","- C73 H88 O17 -","2","1","","Lin, Xionghao; Ji, Shuai; Li, Rui; Dong, Yinhui; Qiao, Xue; Hu, Hongbo; Yang, Wenzhi; Guo, Dean; Tu, Pengfei; Ye, Min","Terpecurcumins A-I from the Rhizomes of Curcuma longa: Absolute Configuration and Cytotoxic Activity.","Journal of natural products","2012","75","12","2121","2131","10.1021/np300551g","","","1.54178","CuKα","","0.0707","0.0637","","","0.1494","0.1547","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508562","9.216","0.0004","11.9757","0.0003","9.9484","0.0004","90","","116.94","0.005","90","","978.83","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0505","0.0477","","","0.1255","0.13","","","","","","1.054","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508563","8.8343","0.0002","12.0172","0.0004","17.6834","0.0004","90","","90","","90","","1877.33","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0385","0.035","","","0.0865","0.0897","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508564","6.1689","0.0003","21.3668","0.0009","7.5017","0.0004","90","","113.089","0.006","90","","909.59","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0358","0.0341","","","0.0858","0.088","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508565","6.7585","0.0002","7.0786","0.0003","35.5061","0.0012","90","","90","","90","","1698.64","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0326","0.0312","","","0.0858","0.0869","","","","","","1.08","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508566","11.1313","0.0003","11.1313","0.0003","33.9045","0.0009","90","","90","","120","","3638.14","0.17","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H28 Cl3 N O6 -","- C20 H26 Cl3 N O6 -","- C120 H156 Cl18 N6 O36 -","6","1","","Amagata, Taro; Xiao, Jing; Chen, Yi-Pei; Holsopple, Nicholas; Oliver, Allen G.; Gokey, Trevor; Guliaev, Anton B.; Minoura, Katsuhiko","Creation of an HDAC-Based Yeast Screening Method for Evaluation of Marine-Derived Actinomycetes: Discovery of Streptosetin A.","Journal of natural products","2012","75","12","2193","2199","10.1021/np300640g","","","1.54178","CuKα","","0.1032","0.0942","","","0.2665","0.2793","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516051","8.1308","0.0002","17.5736","0.0003","11.0262","0.0002","90","","94.94","0.001","90","","1569.65","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19.26 N O5.13 -","- C18 H19.26 N O5.13 -","- C72 H77.04 N4 O20.52 -","4","2","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of Zephyranthes candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","1.54178","CuKα","","0.0282","0.0282","","","0.0732","0.0732","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516052","7.6345","0.001","13.862","0.002","13.927","0.002","90","","90","","90","","1473.9","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isophotosantonin","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0659","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516053","7.3918","0.0002","29.704","0.001","32.1937","0.001","90","","90","","90","","7068.6","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15.8 H19.6 O4.4 -","- C15.8 H19.6 O4.4 -","- C316 H392 O88 -","20","5","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0291","0.0287","","","0.0769","0.0772","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516054","9.0581","0.0004","9.5429","0.0004","15.5537","0.0007","90","","90","","90","","1344.47","0.1","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.027","0.0267","","","0.0719","0.0721","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516055","10.876","0.003","6.7384","0.0017","14.743","0.003","90","","92.481","0.012","90","","1079.5","0.5","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aS,4R,5R,10bS)-5-(benzo[d][1,3]dioxol-5-yl)-10-methoxy-1-oxo-1,3,3a,4,5,10b- hexahydrofuro[3',4':5,6]naphtho[2,3-d][1,3]dioxole-4-carboxylic acid compound with propan-2-one (2:1)","","- C23.5 H21 O9.5 -","- C23.5 H21 O9.5 -","- C47 H42 O19 -","2","1","","Thanh, Van Trinh Thi; Pham, Van Cuong; Mai, Huong Doan Thi; Litaudon, Marc; Guéritte, Françoise; Retailleau, Pascal; Nguyen, Van Hung; Chau, Van Minh","Cytotoxic lignans from fruits of Cleistanthus indochinensis: synthesis of cleistantoxin derivatives.","Journal of natural products","2012","75","9","1578","1583","10.1021/np3003832","","","1.54187","CuKα","","0.108","0.0651","","","0.1637","0.2109","","","","","","0.959","","","","has coordinates","176435","2020-10-21","18:00:00",""