# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:34:41+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of natural products') AND volume = 76 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
"1508839","9.8904","0.0001","10.0215","0.0001","15.205","0.0002","90","","90","","90","","1507.07","0.03","155","","155","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Wang, Shao-Juan; Bao, Li; Han, Jun-Jie; Wang, Quan-Xin; Yang, Xiao-Li; Wen, Hua-An; Guo, Liang-Dong; Li, Shao-Jie; Zhao, Feng; Liu, Hong-Wei","Pleurospiroketals A-E, Perhydrobenzannulated 5,5-Spiroketal Sesquiterpenes from the Edible Mushroom Pleurotus cornucopiae.","Journal of natural products","2013","76","1","45","50","10.1021/np3006524","","","1.5418","CuKα","","0.0331","0.0319","","","0.0812","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508840","9.965","0.002","5.5627","0.0011","13.216","0.003","90","","106.53","0.03","90","","702.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","1","","Luo, Ji; Liu, Xiangyu; Li, Erwei; Guo, Liangdong; Che, Yongsheng","Arundinols A-C and Arundinones A and B from the Plant Endophytic Fungus Microsphaeropsis arundinis.","Journal of natural products","2013","76","1","107","112","10.1021/np300806a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0902","0.091","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508923","7.9356","0.0004","7.1221","0.0004","8.5697","0.0006","90","","102.824","0.006","90","","472.26","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,4AR)-8-hydroxy-3-methyl-3,4,4A,5,6, 7-hexahydro-1h-isochromen-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0542","0.0413","","","0.1022","0.1088","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508924","7.3937","0.0003","10.5911","0.0005","10.6467","0.0005","90","","90","","90","","833.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0419","0.0336","","","0.0797","0.0839","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1511840","12.07","0.01","7.88","0.006","14.734","0.012","90","","93.781","0.009","90","","1398.3","1.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.1102","0.0489","","","0.0861","0.1068","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511841","6.422","0.004","11.87","0.007","9.689","0.006","90","","103.415","0.006","90","","718.4","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C30 H42 Cl2 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.059","0.0397","","","0.0693","0.076","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511842","6.155","0.008","11.287","0.015","9.836","0.013","90","","96.098","0.014","90","","679.5","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0741","0.0523","","","0.116","0.1282","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511843","8.379","0.006","9.018","0.006","19.545","0.014","90","","90","","90","","1476.9","1.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0625","0.0455","","","0.0908","0.0999","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511844","12.88614","0.00012","12.34409","0.00007","14.84644","0.00013","90","","110.476","0.001","90","","2212.38","0.03","100.05","0.1","100.05","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 O8 -","- C25 H30 O8 -","- C100 H120 O32 -","4","1","","Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I.","Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1).","Journal of natural products","2013","76","3","388","393","10.1021/np300750q","","x-ray","1.54178","CuKα","","0.0374","0.0367","","","0.0973","0.0979","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511845","9.4459","0.001","12.5596","0.0009","16.2541","0.0013","90","","104.867","0.01","90","","1863.8","0.3","100.5","","100.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O8 -","- C21 H24 O8 -","- C84 H96 O32 -","4","1","","Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I.","Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1).","Journal of natural products","2013","76","3","388","393","10.1021/np300750q","","x-ray","1.54178","CuKα","","0.0803","0.0568","","","0.1496","0.1695","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511846","8.4324","0.0002","16.6283","0.0003","10.8816","0.0002","90","","96.174","0.001","90","","1516.93","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O8 -","- C35 H42 O8 -","- C70 H84 O16 -","2","1","","Wang, Luo-Yi; Wu, Jian; Yang, Zhuo; Wang, Xu-Jie; Fu, Yan; Liu, Shuang-Zhu; Wang, Hong-Min; Zhu, Wei-Liang; Zhang, Hai-Yan; Zhao, Wei-Min","(M)- and (P)-Bicelaphanol A, Dimeric Trinorditerpenes with Promising Neuroprotective Activity fromCelastrus orbiculatus","Journal of Natural Products","2013","76","4","745","","10.1021/np3008182","","","1.54178","CuKα","","0.0282","0.0279","","","0.0864","0.087","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511847","11.3275","0.0002","7.8127","0.0001","13.6034","0.0002","90","","90.954","0.001","90","","1203.71","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","1","","Shao, Chang-Lun; Xu, Ru-Fang; Wei, Mei-Yan; She, Zhi-Gang; Wang, Chang-Yun","Structure and Absolute Configuration of Fumiquinazoline L, an Alkaloid from a Gorgonian-DerivedScopulariopsissp. Fungus","Journal of Natural Products","2013","76","4","779","","10.1021/np4002042","","","1.54178","CuKα","","0.0285","0.0281","","","0.0749","0.0751","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512023","13.646","0.003","8.3619","0.0017","14.658","0.003","90","","115.775","0.011","90","","1506.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","nor-rhazinicine","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1554","0.1416","","","0.3237","0.3423","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512024","7.3486","0.0004","15.0738","0.0007","16.674","0.0008","90","","90","","90","","1847","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine A","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1133","0.0512","","","0.1044","0.1263","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512025","8.0382","0.0005","14.5281","0.0009","15.2187","0.0008","90","","90","","90","","1777.24","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine B (scholarisine G)","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0801","0.0491","","","0.0988","0.1091","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512026","8.1326","0.0007","10.6116","0.0009","18.2366","0.0017","90","","90","","90","","1573.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconodine E","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0654","0.0403","","","0.0858","0.0966","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512143","19.4525","0.0004","6.8143","0.0002","14.9925","0.0004","90","","90.914","0.001","90","","1987.08","0.09","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Cong, Hai-Jian; Zhang, Shu-Wei; Shen, Yu; Zheng, Yong; Huang, Yu-Jie; Wang, Wen-Qiong; Leng, Ying; Xuan, Li-Jiang","Guanidine Alkaloids from Plumbago zeylanica.","Journal of natural products","2013","76","7","1351","1357","10.1021/np400235s","","","1.54178","CuKα","","0.048","0.0446","","","0.1221","0.1261","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512144","6.0818","0.0002","19.4319","0.0007","12.9792","0.0004","90","","90.883","0.002","90","","1533.71","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O5 -","- C13 H26 O5 -","- C52 H104 O20 -","4","2","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0328","0.0324","","","0.0907","0.0914","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512145","13.0378","0.0015","17.163","0.003","6.2782","0.0009","90","","90","","90","","1404.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H25 O4.5 -","- C13 H25 O4.5 -","- C52 H100 O18 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0637","0.0495","","","0.1256","0.1341","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512146","8.0315","0.0002","10.532","0.0002","15.8116","0.0003","90","","90","","90","","1337.47","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0386","","","0.1","0.1022","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512148","8.6241","0.0002","9.7034","0.0002","15.9697","0.0003","90","","90","","90","","1336.39","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C52 H96 O12 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0301","0.0299","","","0.0858","0.0861","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512150","6.7617","0.0003","7.8646","0.0003","12.6936","0.0005","90","","102.866","0.002","90","","658.07","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O3 -","- C13 H26 O3 -","- C26 H52 O6 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0398","","","0.1108","0.111","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512153","11.2174","0.0002","5.9846","0.0001","16.7692","0.0004","90","","98.354","0.001","90","","1113.8","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H36 O11 -","- C19 H36 O11 -","- C38 H72 O22 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0288","0.0286","","","0.0741","0.0743","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512154","21.7937","0.0008","7.7597","0.0002","45.2891","0.0018","90","","103.665","0.001","90","","7442.2","0.4","200","","200","","","","","","","","from U of Wollongong","4","P 1 2/n 1","-P 2yac","13","","","","- C77 H75 Cl9 O16 -","- C77 H75 Cl9 O16 -","- C308 H300 Cl36 O64 -","4","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.2459","0.0859","","0.172","0.0975","0.172","","","","","","1.0894","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512155","9.9253","0.0003","6.9102","0.0003","10.7273","0.0004","90","","110.711","0.002","90","","688.19","0.05","200","","200","","","","","","","","local","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","0.5","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.063","0.0471","","0.1279","0.1187","0.1279","","","","","","0.9716","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512156","5.3256","0.0008","10.2108","0.0014","12.4179","0.0017","85.023","0.007","82.234","0.008","89.645","0.009","666.54","0.16","200","","200","","","","","","","","from U of Wollongong","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.1139","0.0802","","0.2208","0.1989","0.2208","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512157","7.9017","0.0002","11.4578","0.0003","20.748","0.0004","95.7973","0.0013","98.8279","0.0013","92.4869","0.0011","1843.38","0.08","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C41 H41 Cl3 O8 -","- C41 H41 Cl3 O8 -","- C82 H82 Cl6 O16 -","2","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.0898","0.0515","","0.1331","0.1144","0.1331","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512158","11.542","0.0005","24.4903","0.0012","7.7765","0.0004","90","","90","","90","","2198.16","0.18","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0317","0.0312","","","0.0835","0.0838","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512159","11.6639","0.0011","24.764","0.002","7.7832","0.0005","90","","90","","90","","2248.1","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.0519","0.038","","","0.0794","0.085","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512160","8.1683","0.0002","12.8017","0.0004","26.8302","0.0008","90","","90","","90","","2805.58","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O2 S -","- C30 H45 N O2 S -","- C120 H180 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0456","0.0427","","","0.1183","0.122","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512161","8.1634","0.0005","12.7824","0.0008","26.7737","0.0017","90","","90","","90","","2793.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N O2 S -","- C30 H46 N O2 S -","- C120 H184 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.105","0.0539","","","0.1073","0.1253","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512162","13.1252","0.0004","13.5105","0.0004","17.3945","0.0005","90","","90","","90","","3084.53","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C136 H160 O48 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0353","0.0352","","","0.0966","0.0967","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512163","12.9578","0.0003","13.5937","0.0003","17.1115","0.0004","90","","90","","90","","3014.1","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C136 H160 O40 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0915","0.0891","","","0.2688","0.273","","","","","","1.267","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512268","6.0854","0.0001","13.6015","0.0002","22.6317","0.0003","90","","90","","90","","1873.24","0.05","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Li, De-Zheng; Tang, Chunping; Quinn, Ronald J.; Feng, Yunjiang; Ke, Chang-Qiang; Yao, Sheng; Ye, Yang","ent-Labdane Diterpenes from the Stems of Mallotus japonicus.","Journal of natural products","2013","76","9","1580","1585","10.1021/np400241p","","","1.54178","CuKα","","0.0471","0.0448","","","0.1299","0.1327","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512269","44.5917","0.0012","9.6204","0.0002","37.0616","0.001","90","","122.453","0.002","90","","13416.1","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C540 H720 N40 O100 -","20","5","","Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Näther, Christian; Imhoff, Johannes F.","Calcaripeptides a-C, cyclodepsipeptides from a calcarisporium strain.","Journal of natural products","2013","76","8","1461","1467","10.1021/np400262t","","","0.71073","MoKα","","0.0782","0.0521","","","0.1089","0.1205","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512270","4.619","0.004","11.969","0.009","29.55","0.02","90","","90","","90","","1634","2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.195","0.1214","","0.2917","0.2353","0.2917","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512271","9.5122","0.0002","15.1148","0.0002","16.0879","0.0003","90","","90.1171","0.0009","90","","2313.03","0.07","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C19 H35 I O4 Si -","- C19 H35 I O4 Si -","- C76 H140 I4 O16 Si4 -","4","2","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.0508","0.0351","","0.079","0.0729","0.079","","","","","","0.9766","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512272","12.2253","0.0002","16.6218","0.0002","18.6036","0.0003","90","","90","","90","","3780.37","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Liu, Xia; Yang, Xing-Wei; Chen, Chao-Qun; Wu, Chun-Yan; Zhang, Jing-Jing; Ma, Jun-Zeng; Wang, Huan; Yang, Li-Xin; Xu, Gang","Bioactive Polyprenylated Acylphloroglucinol Derivatives from Hypericum cohaerens.","Journal of natural products","2013","76","9","1612","1618","10.1021/np400287r","","","1.54178","CuKα","","0.0423","0.0385","","","0.1019","0.1053","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512273","7.9551","0.0002","11.0331","0.0003","21.0769","0.0008","90","","90","","90","","1849.91","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1006","0.0544","","","0.135","0.1625","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512274","8.9471","0.0005","19.6621","0.0008","20.863","0.0008","90","","90","","90","","3670.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1714","0.0769","","","0.192","0.2431","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512275","10.1613","0.0019","12.298","0.002","20.717","0.004","90","","90","","90","","2588.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O5 -","- C30 H46 O5 -","- C120 H184 O20 -","4","1","","Moridi Farimani, Mahdi; Nejad Ebrahimi, Samad; Salehi, Peyman; Bahadori, Mir Babak; Sonboli, Ali; Khavasi, Hamid Reza; Zimmermann, Stefanie; Kaiser, Marcel; Hamburger, Matthias","Antitrypanosomal Triterpenoid with an ε-Lactone E-Ring from Salvia urmiensis.","Journal of natural products","2013","76","9","1806","1809","10.1021/np400337a","","","0.71073","MoKα","","0.0913","0.0561","","","0.1122","0.125","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512276","20.9983","0.0006","7.8332","0.0002","23.1219","0.0009","90","","93.695","0.001","90","","3795.3","0.2","140","1","140","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1- ((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a- (epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione","","- C29 H42 O4 -","- C29 H42 O4 -","- C174 H252 O24 -","6","3","","Kolesnikova, Sophia A.; Lyakhova, Ekaterina G.; Kalinovsky, Anatoly I.; Pushilin, Michail A.; Afiyatullov, Shamil Sh; Yurchenko, Ekaterina A.; Dyshlovoy, Sergey A.; Minh, Chau V.; Stonik, Valentin A.","Isolation, Structures, and Biological Activities of Triterpenoids from a Penares sp. Marine Sponge.","Journal of natural products","2013","76","9","1746","1752","10.1021/np400388x","","x-ray","0.71073","MoKα","","0.0524","0.0385","","","0.085","0.0908","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512277","8.9991","0.0001","10.3062","0.0002","30.5548","0.0005","90","","90","","90","","2833.85","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O12 -","- C29 H46 O12 -","- C116 H184 O48 -","4","1","","Liu, Qian; Tang, Jin-Shan; Hu, Meng-Jie; Liu, Jie; Chen, Hai-Feng; Gao, Hao; Wang, Guang-Hui; Li, Shun-Lin; Hao, Xiao-Jiang; Zhang, Xiao-Kun; Yao, Xin-Sheng","Antiproliferative Cardiac Glycosides from the Latex of Antiaris toxicaria.","Journal of natural products","2013","76","9","1771","1780","10.1021/np4005147","","","1.5418","CuKα","","0.0385","0.0369","","","0.1029","0.1044","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512560","6.1962","0.0002","12.5597","0.0004","30.5348","0.0011","90","","90","","90","","2376.29","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Huang, Chiung-Yao; Liaw, Chih-Chuang; Chen, Bo-Wei; Chen, Pei-Chin; Su, Jui-Hsin; Sung, Ping-Jyun; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Withanolide-Based Steroids from the Cultured Soft Coral Sinularia brassica.","Journal of natural products","2013","76","10","1902","1908","10.1021/np400454q","","","1.54178","CuKα","","0.0272","0.027","","","0.0685","0.0687","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512561","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolone a","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","An, Chun-Yan; Li, Xiao-Ming; Luo, Han; Li, Chun-Shun; Wang, Ming-Hui; Xu, Gang-Ming; Wang, Bin-Gui","4-Phenyl-3,4-dihydroquinolone Derivatives from Aspergillus nidulans MA-143, an Endophytic Fungus Isolated from the Mangrove Plant Rhizophora stylosa.","Journal of natural products","2013","76","10","1896","1901","10.1021/np4004646","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512562","19.164","0.004","7.2611","0.0012","18.488","0.003","90","","118.742","0.004","90","","2255.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C100 H136 Cl4 N12 O4 -","4","1","","Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.","Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.","Journal of natural products","2013","76","10","1937","1945","10.1021/np400531b","","","0.39739","synchrotron","","0.1329","0.0674","","","0.1458","0.1771","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512563","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.","Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.","Journal of natural products","2013","76","10","1937","1945","10.1021/np400531b","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513101","9.2491","0.0007","14.3509","0.0013","15.8699","0.0013","90","","90","","90","","2106.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O8 S -","- C20 H26 O8 S -","- C80 H104 O32 S4 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Li, Chun-Shun; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui","Sulfur-Containing Cytotoxic Curvularin Macrolides from Penicillium sumatrense MA-92, a Fungus Obtained from the Rhizosphere of the Mangrove Lumnitzera racemosa.","Journal of natural products","2013","76","11","2145","2149","10.1021/np400614f","","","0.71073","MoKα","","0.1067","0.0683","","","0.1389","0.1671","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513102","7.0316","0.0002","9.5125","0.0004","21.7347","0.0008","90","","90","","90","","1453.79","0.09","150","","150","2","","","","","","","Phyllidia coelestis Bergh","4","P 21 21 21","P 2ac 2ab","19","1-formamido-abeo-pupukeanane","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Jaisamut, Sunan; Prabpai, Samran; Tancharoen, Chompoonuch; Yuenyongsawad, Supreeya; Hannongbua, Supa; Kongsaeree, Palangpon; Plubrukarn, Anuchit","Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch Phyllidia coelestis Bergh.","Journal of natural products","2013","76","11","2158","2161","10.1021/np4007074","","x-ray","0.71073","MoKα","","0.0533","0.0457","","","0.1062","0.1111","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513218","11.2384","0.0002","12.0287","0.0003","19.6185","0.0004","90","","90","","90","","2652.09","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0352","0.0346","","","0.111","0.1118","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513219","11.6397","0.0002","11.7388","0.0002","19.9846","0.0003","90","","90","","90","","2730.62","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O11 -","- C28 H40 O11 -","- C112 H160 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0345","0.0339","","","0.0912","0.092","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513220","11.3438","0.0008","14.0817","0.0009","16.2703","0.001","90","","90","","90","","2599","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","K4C521XC","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","0.71073","MoKα","","0.0421","0.0369","","","0.0874","0.0968","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513221","11.3539","0.0001","11.8861","0.0001","21.7292","0.0002","90","","90","","90","","2932.43","0.04","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0322","0.0318","","","0.0862","0.0865","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513222","20.3979","0.0007","9.6961","0.0003","16.0481","0.0006","90","","99.429","0.002","90","","3131.11","0.19","140","2","140","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0674","0.066","","","0.1793","0.181","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513223","8.5553","0.0002","7.058","0.0002","18.5846","0.0005","90","","94.668","0.001","90","","1118.48","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O8 -","- C22 H36 O8 -","- C44 H72 O16 -","2","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0312","0.031","","","0.0872","0.0875","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513224","8.4307","0.0002","11.7779","0.0003","23.1333","0.0005","90","","90","","90","","2297.04","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0294","0.0291","","","0.0792","0.0795","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513225","7.5784","0.0001","10.6565","0.0002","26.4145","0.0005","90","","90","","90","","2133.21","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.034","0.0335","","","0.0923","0.0928","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513226","6.506","","13.7","","20.624","","90","","90","","90","","1838.26","","296","2","296","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","0.71073","MoKα","","0.0413","0.0388","","","0.1037","0.1043","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513227","7.5766","0.0002","10.629","0.0002","26.1402","0.0005","90","","90","","90","","2105.11","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0339","0.0336","","","0.0944","0.0949","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513228","6.7118","0.0001","13.4388","0.0002","23.6639","0.0004","90","","90","","90","","2134.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C92 H136 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0348","0.0331","","","0.1081","0.1177","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513229","12.0609","0.0002","6.8263","0.0001","29.7481","0.0005","90","","98.082","0.001","90","","2424.87","0.07","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C96 H144 O28 -","4","2","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0373","0.037","","","0.1032","0.1037","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516004","7.436","0.002","10.803","0.003","21.663","0.006","90","","90","","90","","1740.2","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0807","0.0521","","","0.1069","0.1186","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516005","7.47","0.0007","8.2128","0.0007","28.215","0.003","90","","90","","90","","1731","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0532","0.0442","","","0.1058","0.1097","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516006","9.581","0.0001","10.936","0.0001","26.3804","0.0002","90","","90","","90","","2764.08","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N4 O7 -","- C29 H30 N4 O7 -","- C116 H120 N16 O28 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0289","0.0281","","","0.0754","0.0763","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516007","12.4363","0.0002","13.6529","0.0002","15.6264","0.0002","90","","90","","90","","2653.23","0.07","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0437","0.0411","","","0.1203","0.1245","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516008","10.8171","0.0004","6.2921","0.0003","15.093","0.0005","90","","96.093","0.003","90","","1021.46","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0517","0.0476","","","0.1282","0.1336","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516009","7.2956","0.0015","10.729","0.002","18.181","0.004","90","","90","","90","","1423.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng","Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production.","Journal of natural products","2013","76","6","1150","1156","10.1021/np400202f","","","0.71073","MoKα","","0.0559","0.0465","","","0.1144","0.1193","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516010","9.003","0.003","8.28","0.005","18.182","0.005","90","","90","","90","","1355.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O3 -","- C15 H21 O3 -","- C60 H84 O12 -","4","1","","Zhang, Yan; Liu, Yun-Bao; Li, Yong; Ma, Shuang-Gang; Li, Li; Qu, Jing; Zhang, Dan; Chen, Xiao-Guang; Jiang, Jian-Dong; Yu, Shi-Shan","Sesquiterpenes and alkaloids from the roots of Alangium chinense.","Journal of natural products","2013","76","6","1058","1063","10.1021/np4000747","","","1.54187","CuKα","","0.0516","0.0455","","","0.124","0.1321","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516011","20.0401","0.0008","20.0401","0.0008","9.4689","0.0004","90","","90","","90","","3802.8","0.3","100","2","100","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H32 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0522","0.0506","","","0.1354","0.1368","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516012","8.314","0.0002","10.5467","0.0003","20.9187","0.0006","90","","90","","90","","1834.26","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0345","0.0343","","","0.0979","0.0981","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516013","8.063","0.0001","14.9648","0.0002","20.7157","0.0002","90","","90","","90","","2499.58","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0391","0.0385","","","0.1116","0.1128","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516014","6.4698","0.0002","15.2985","0.0003","26.1064","0.0005","90","","90","","90","","2583.97","0.11","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0335","0.0328","","","0.0889","0.0899","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""