# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:02:26+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 = 83 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
"1556983","7.4338","0.0001","19.1874","0.0001","28.7281","0.0001","90","","90","","90","","4097.64","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19.35 N5 O4.18 -","- C23 H19.35 N5 O4.175 -","- C184 H154.8 N40 O33.4 -","8","2","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.065","0.0654","","","","","","1.032","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556984","13.718","0.001","13.718","0.001","21.48","0.0017","90","","90","","120","","3500.6","0.5","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H25 N5 O5 -","- C25 H25 N5 O5 -","- C150 H150 N30 O30 -","6","1","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","","1.54178","CuKα","","0.0382","0.0361","","","0.1184","0.1219","","","","","","1.063","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1557040","10.0349","0.0004","8.3874","0.0004","17.4347","0.0008","90","","91.005","0.004","90","","1467.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br2 N2 O -","- C17 H10 Br2 N2 O -","- C68 H40 Br8 N8 O4 -","4","1","","Sala, Samuele; Nealon, Gareth L.; Sobolev, Alexandre N.; Fromont, Jane; Gomez, Oliver; Flematti, Gavin R.","Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis.","Journal of natural products","2020","83","1","105","110","10.1021/acs.jnatprod.9b00902","","","1.54178","CuKα","","0.0573","0.0437","","","0.1056","0.1177","","","","","","1","","","","has coordinates","247537","2020-10-21","18:00:00",""
"1557272","8.505","0.0003","9.1711","0.0004","10.7701","0.0004","100.159","0.001","99.818","0.001","90.932","0.001","813.86","0.05","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C35 H40 O12 -","- C35 H40 O12 -","- C35 H40 O12 -","1","1","","Fu, Yifan; Zhao, Weimin","Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.","Journal of natural products","2020","83","2","505","515","10.1021/acs.jnatprod.9b01199","","","1.54178","CuKα","","0.0409","0.0407","","","0.1084","0.1087","","","","","","1.064","","","","has coordinates","248714","2020-10-21","18:00:00",""
"1557311","18.071","0.0004","9.5329","0.0002","17.7642","0.0005","90","","99.613","0.003","90","","3017.25","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl5 O2 -","- C12 H13 Cl5 O2 -","- C96 H104 Cl40 O16 -","8","2","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","0.71073","MoKα","","0.0433","0.0348","","","0.0729","0.0763","","","","","","1.06","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557312","8.98338","0.00013","8.98338","0.00013","20.8299","0.0007","90","","90","","90","","1681","0.07","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Sigillin F","","","- C12 H14 Cl6 O5 -","- C12 H14 Cl6 O5 -","- C48 H56 Cl24 O20 -","4","1","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","1.54184","CuKα","","0.0247","0.0227","","","0.0509","0.052","","","","","","1.064","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557703","13.5605","0.0005","16.7746","0.0006","17.6055","0.0007","90","","90","","90","","4004.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N O13 -","- C41 H47 N O13 -","- C164 H188 N4 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0552","","","0.1468","0.1745","","","","","","1.09","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557704","11.5632","0.0001","16.5034","0.0001","18.9525","0.0001","90","","90","","90","","3616.75","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0307","0.0296","","","0.0751","0.0761","","","","","","1.04","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557705","9.3231","0.0001","9.3231","0.0001","42.7604","0.0006","90","","90","","90","","3716.74","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 41","P 4w","76","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C148 H184 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0485","","","0.1097","0.1203","","","","","","1.053","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557706","10.0116","0.0008","7.2838","0.0006","13.4741","0.0011","90","","91.07","0.003","90","","982.39","0.14","111","2","111","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0327","0.0312","","","0.0811","0.0827","","","","","","1.026","","","","has coordinates,has disorder","251470","2020-10-21","18:00:00",""
"1557707","10.5287","0.0005","7.3127","0.0004","12.9166","0.0006","90","","94.614","0.001","90","","991.27","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","dd_xcj20","","","- C20 H30 O7 -","- C20 H30 O7 -","- C40 H60 O14 -","2","1","","Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei","Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>.","Journal of natural products","2020","83","4","927","936","10.1021/acs.jnatprod.9b00761","","","1.54178","CuKα","","0.0357","0.0356","","","0.0918","0.0919","","","","","","1.05","","","","has coordinates","251470","2020-10-21","18:00:00",""
"1558007","9.2448","0.0004","10.1376","0.0004","22.4575","0.0009","90","","90","","90","","2104.72","0.15","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0285","0.0283","","","0.0794","0.0796","","","","","","1.057","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558008","9.2746","0.0003","10.2656","0.0003","22.5834","0.0007","90","","90","","90","","2150.15","0.12","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0302","0.0301","","","0.0897","0.0898","","","","","","1.109","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558163","9.271","0.0002","9.6883","0.0003","19.4904","0.0004","90","","92.098","0.002","90","","1749.46","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Lum, Kah Yean; Taki, Aya C.; Gasser, Robin B.; Tietjen, Ian; Ekins, Merrick G.; White, Jonathan M.; Addison, Russell S.; Hayes, Sasha; St John, James; Davis, Rohan A.","Comatulins A-E, Taurine-Conjugated Anthraquinones from the Australian Crinoid <i>Comatula rotalaria</i>.","Journal of natural products","2020","83","6","1971","1979","10.1021/acs.jnatprod.0c00267","","x-ray","1.54184","CuKα","","0.0868","0.0827","","","0.2628","0.2739","","","","","","1.262","","","","has coordinates","253728","2020-10-21","18:00:00",""
"1558288","9.1596","0.0009","9.9432","0.0009","17.9178","0.0016","90","","90","","90","","1631.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.032","0.0319","","","0.1016","0.1019","","","","","","0.955","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558289","10.9785","0.0001","7.5525","0.0001","11.4085","0.0001","90","","99.327","0.001","90","","933.431","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.0324","0.0321","","","0.0858","0.086","","","","","","1.097","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558318","18.754","0.0002","9.0751","0.0001","26.1928","0.0003","90","","102.75","0.001","90","","4347.95","0.08","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C176 H216 N8 O56 -","8","4","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0599","0.0563","","","0.1695","0.1765","","","","","","1.027","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558319","5.8085","0.0003","7.3835","0.0004","33.4086","0.0017","90","","90","","90","","1432.8","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0312","0.0307","","","0.0828","0.0832","","","","","","1.069","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558331","10.90373","0.00013","9.73486","0.00011","14.2878","0.0002","90","","102.003","0.0013","90","","1483.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O6 -","- C31 H48 O6 -","- C62 H96 O12 -","2","1","","Xie, Shuangshuang; Tan, Xiaosheng; Liu, Yaping; Duan, Yulin; Chen, Gang; Feng, Hao; Sun, Lingjuan; Huang, Yingying; Guo, Yi; Shi, Zhengyi; Zhou, Yuan; Qi, Changxing; Zhang, Yonghui","Hypersonins A-D, Polycyclic Polyprenylated Acylphloroglucinols with a 1,2-<i>seco</i>-Homoadamantane Architecture from <i>Hypericum wilsonii</i>.","Journal of natural products","2020","83","6","1804","1809","10.1021/acs.jnatprod.9b01187","","x-ray","1.54184","CuKα","","0.0275","0.0274","","","0.0722","0.0723","","","","","","1.046","","","","has coordinates","253730","2020-10-21","18:00:00",""
"1558504","9.77217","0.00005","9.81597","0.00005","13.76057","0.00008","90","","90","","90","","1319.96","0.012","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0267","0.0267","","","0.0684","0.0684","","","","","","1.095","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558505","5.42071","0.0001","12.6801","0.0003","14.9194","0.0003","90","","90","","90","","1025.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.046","0.0448","","","0.1128","0.1139","","","","","","1.076","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558506","6.34756","0.00013","7.9249","0.0002","13.5609","0.0003","90","","93.6003","0.0019","90","","680.82","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0386","0.0384","","","0.1027","0.1031","","","","","","1.057","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558521","7.9639","0.0002","8.3386","0.0002","28.4084","0.0008","90","","90","","90","","1886.54","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0345","0.0343","","","0.0909","0.091","","","","","","1.059","","","","has coordinates,has disorder","254773","2020-10-21","18:00:00",""
"1558522","7.8764","0.0007","8.2662","0.0007","31.176","0.003","90","","90","","90","","2029.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0398","0.0397","","","0.101","0.1012","","","","","","1.12","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558523","10.7266","0.0006","10.6192","0.0006","16.318","0.0009","90","","100.492","0.002","90","","1827.67","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H29 O5.5 -","- C19 H28 O5.5 -","- C76 H112 O22 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0466","0.0461","","","0.1242","0.1248","","","","","","1.037","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558524","8.4232","0.0011","30.675","0.004","8.5481","0.0011","90","","101.44","0.006","90","","2164.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","xpc67","","","- C21 H34 O8 -","- C21 H32 O8 -","- C84 H128 O32 -","4","2","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.1566","0.1454","","","0.3939","0.4141","","","","","","1.752","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558525","6.6138","0.0003","10.491","0.0005","18.5288","0.0009","90","","99.538","0.002","90","","1267.86","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C52 H72 O18 -","2","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0346","0.0336","","","0.1034","0.1058","","","","","","0.916","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558526","7.9409","0.0001","11.0197","0.0002","18.8393","0.0003","90","","90","","90","","1648.56","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0359","0.0347","","","0.111","0.1135","","","","","","1.01","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558527","7.6538","0.0003","22.4697","0.001","44.905","0.002","90","","90","","90","","7722.7","0.6","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O3.5 -","- C20 H33 O3.5 -","- C320 H528 O56 -","16","4","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.1498","0.1107","","","0.2428","0.2662","","","","","","0.993","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558528","6.7321","0.0003","13.4089","0.0006","37.6911","0.0017","90","","90","","90","","3402.4","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O3.5 -","- C19.5 H28 O3.5 -","- C156 H224 O28 -","8","2","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0544","0.0461","","","0.1247","0.1347","","","","","","1.079","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558566","14.1567","0.0017","6.2892","0.0007","37.652","0.005","90","","95.26","0.004","90","","3338.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H59 Br4 Cl9 O13 -","- C60 H59 Br4 Cl9 O13 -","- C120 H118 Br8 Cl18 O26 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.06","0.0435","","","0.1006","0.1113","","","","","","1.009","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558567","12.537","0.0005","12.7632","0.0006","18.2961","0.0007","90","","90","","90","","2927.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O8 S -","- C31 H41 N O8 S -","- C124 H164 N4 O32 S4 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0614","0.047","","","0.1211","0.1345","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558568","14.5716","0.0003","30.3441","0.0007","12.135","0.0003","90","","90","","90","","5365.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C232 H320 O80 -","8","2","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0448","0.0398","","","0.0998","0.1041","","","","","","0.958","","","","has coordinates,has disorder","254778","2020-10-21","18:00:00",""
"1558569","6.3191","0.0002","11.9806","0.0004","12.9208","0.0005","90","","100.742","0.0013","90","","961.05","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0304","0.0295","","","0.0828","0.0838","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558570","7.6298","0.0004","7.8915","0.0004","16.7699","0.0009","90","","94.598","0.002","90","","1006.48","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C46 H72 O12 -","2","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0357","0.0322","","","0.077","0.0797","","","","","","1.001","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558571","6.469","0.0003","11.9665","0.0007","33.9275","0.0017","90","","90","","90","","2626.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.1015","0.0571","","","0.1152","0.1394","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558578","7.57","0.0001","10.8882","0.0002","45.5723","0.001","90","","90","","90","","3756.24","0.12","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.1108","0.0575","","","0.1318","0.1607","","","","","","1.001","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558579","11.7598","0.0012","6.7923","0.0005","19.84","0.002","90","","94.713","0.008","90","","1579.4","0.3","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H14 O6.5 -","- C19 H14 O6.5 -","- C76 H56 O26 -","4","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.1371","0.0816","","","0.2089","0.245","","","","","","1.029","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1558580","18.522","0.0003","13.0651","0.0002","7.0412","0.0001","90","","103.76","0.001","90","","1655.01","0.04","296","","296","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.0438","0.0376","","","0.0933","0.0988","","","","","","1.06","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558581","8.4122","0.0005","20.175","0.0011","26.6799","0.0016","90","","90","","90","","4528","0.5","277","2","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O7 -","- C19 H14 O7 -","- C228 H168 O84 -","12","3","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.06","0.0498","","","0.1489","0.1775","","","","","","1.067","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558588","13.4072","0.0006","7.2619","0.0003","14.8167","0.0006","90","","101.307","0.003","90","","1414.58","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O11 -","- C30 H40 O11 -","- C60 H80 O22 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0248","0.0248","","","0.0627","0.0628","","","","","","1.053","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558589","10.146","0.0008","10.4082","0.0009","10.8554","0.0009","90","","110.004","0.002","90","","1077.19","0.16","100","","99.91","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C52 H60 O14 -","2","1","","Bedane, Kibrom Gebreheiwot; Brieger, Lukas; Strohmann, Carsten; Seo, Ean-Jeong; Efferth, Thomas; Spiteller, Michael","Cytotoxic Bufadienolides from the Leaves of <i>Melianthus major</i>.","Journal of natural products","2020","83","7","2122","2128","10.1021/acs.jnatprod.0c00060","","x-ray","1.54178","CuKα","","0.0293","0.0292","","","0.0794","0.0795","","","","","","1.029","","","","has coordinates","254777","2020-10-21","18:00:00",""
"1558750","10.4979","0.0003","12.8949","0.0003","13.082","0.0003","90","","90","","90","","1770.9","0.08","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Zhou, Bin; Ren, Yu-Hao; Han, Ying-Shan; Mesplède, Thibault; Yue, Jian-Min","Diverse Types of Diterpenoids with an Aromatized C Ring from the Twigs of <i>Podocarpus imbricatus</i>.","Journal of natural products","2020","83","8","2416","2424","10.1021/acs.jnatprod.0c00291","","","1.54178","CuKα","","0.035","0.0318","","","0.0888","0.0899","","","","","","1.021","","","","has coordinates","255873","2020-10-21","18:00:00",""
"1558856","12.9977","0.0003","9.61","0.0002","15.9499","0.0004","90","","111.677","0.003","90","","1851.38","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H44 O7 -","- C42 H44 O7 -","- C84 H88 O14 -","2","1","","Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy","Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>.","Journal of natural products","2020","83","8","2390","2398","10.1021/acs.jnatprod.0c00245","","","1.54184","CuKα","","0.039","0.0353","","","0.0866","0.0888","","","","","","1.035","","","","has coordinates","255874","2020-10-21","18:00:00",""
"1558879","12.7945","0.0018","26.092","0.004","11.4869","0.0016","90","","90","","90","","3834.7","1","297","2","297","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C160 H256 O32 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0679","0.0539","","","0.1447","0.1565","","","","","","1.056","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558880","7.7113","0.0002","10.3066","0.0002","12.1791","0.0003","90","","97.215","0.001","90","","960.3","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0552","0.0507","","","0.1336","0.1382","","","","","","1.081","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558881","7.617","0.0002","11.8104","0.0003","22.6071","0.0006","90","","90","","90","","2033.73","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl O5 -","- C20 H31 Cl O5 -","- C80 H124 Cl4 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0487","0.0467","","","0.1338","0.1366","","","","","","1.083","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558882","7.2621","0.0008","12.6474","0.001","10.7864","0.0012","90","","99.188","0.002","90","","977.98","0.17","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0904","0.0627","","","0.1366","0.157","","","","","","1.042","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558883","25.917","0.003","12.6548","0.0016","13.9501","0.0015","90","","118.868","0.004","90","","4006.7","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H33 O5.5 -","- C20 H33 O5.5 -","- C160 H264 O44 -","8","2","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.1521","0.1038","","","0.2491","0.3021","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558884","9.4565","0.0005","9.5803","0.0007","22.189","0.0014","90","","90","","90","","2010.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0583","0.0459","","","0.1116","0.1212","","","","","","1.032","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1559007","35.823","0.0002","6.493","","11.1674","0.0001","90","","106.69","","90","","2488.1","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H31 N3 O5 -","- C27 H31 N3 O5 -","- C108 H124 N12 O20 -","4","1","","Qi, Changxing; Tan, Xiaosheng; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Hu, Zhengxi; Chen, Gang; Zhang, Yonghui","Discovery of an Oxepine-Containing Diketopiperazine Derivative Active against Concanavalin A-Induced Hepatitis.","Journal of natural products","2020","83","9","2672","2678","10.1021/acs.jnatprod.0c00558","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.056","","","","has coordinates","257124","2020-10-21","18:00:00",""
"1559094","7.7633","0.0002","10.4691","0.0003","22.3209","0.0007","90","","90.211","0.001","90","","1814.11","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H25 O5.5 -","- C20 H24 O5.5 -","- C80 H96 O22 -","4","2","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0782","0.0755","","","0.1916","0.2016","","","","","","1.048","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1559095","9.4086","0.0002","11.8075","0.0003","18.603","0.0004","90","","90","","90","","2066.65","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0429","0.0425","","","0.114","0.1146","","","","","","1.052","","","","has coordinates","257123","2020-10-21","18:00:00",""
"1559261","14.6657","0.0004","9.2134","0.0003","27.2283","0.0019","90","","105.599","0.007","90","","3543.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","4","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.1015","0.0561","","","0.1321","0.1618","","","","","","0.948","","","","has coordinates","258715","2020-11-04","01:28:14",""
"1559262","8.0071","0.0003","10.1293","0.0004","20.8919","0.0009","84.188","0.004","80.126","0.004","89.579","0.003","1660.7","0.12","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C66 H100 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0997","0.0616","","","0.1437","0.1601","","","","","","1.012","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559263","6.9816","0.0002","7.0672","0.0016","7.8911","0.0018","81.9415","0.0019","73.77","0.002","62.844","0.003","332.59","0.11","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C15 H18 O6 -","1","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","x-ray","0.71073","MoKα","","0.0341","0.0325","","","0.0862","0.087","","","","","","1.063","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559264","8.1822","0.0003","11.6976","0.0004","20.5756","0.0014","90","","90","","90","","1969.33","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0443","0.0357","","","0.0844","0.0929","","","","","","1.121","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559265","7.9046","0.0003","10.2052","0.0004","17.7713","0.0013","96.518","0.007","91.665","0.007","90.773","0.006","1423.5","0.13","203","2","203","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","2","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0599","0.0505","","","0.1246","0.1519","","","","","","1.108","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559266","6.9381","0.0001","12.35","0.0003","23.4283","0.0016","90","","90","","90","","2007.47","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0398","0.0324","","","0.0787","0.0878","","","","","","1.097","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559267","9.6322","0.0003","10.6501","0.0004","14.5182","0.001","90","","100.881","0.007","90","","1462.56","0.13","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O10 -","- C30 H46 O10 -","- C60 H92 O20 -","2","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.151","0.0871","","","0.1969","0.2646","","","","","","1.107","","","","has coordinates,has disorder","258715","2020-11-04","01:28:16",""
"1559278","13.583","0.0005","15.4136","0.0005","19.6284","0.0014","90","","90","","90","","4109.5","0.4","235","","235.15","","","","","","","","Isaria farinosa","4","P 21 21 21","P 2ac 2ab","19","Paecilosetin C","Compound 5","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique","Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>.","Journal of natural products","2020","83","10","2915","2922","10.1021/acs.jnatprod.0c00444","","x-ray","1.54187","CuKα","","0.1401","0.048","","","0.076","0.1131","","","","","","1.044","","","","has coordinates","258714","2020-11-04","01:27:57",""
"1559356","5.6906","0.0002","7.5658","0.0003","30.679","0.003","90","","90","","90","","1320.85","0.15","108.2","0.1","108.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C48 H72 O32 -","4","1","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0836","0.0855","","","","","","1.052","","","","has coordinates","258713","2020-11-04","01:27:40",""
"1559357","7.8647","0.0005","9.2285","0.0004","36.996","0.003","90","","90","","90","","2685.1","0.3","108.35","0.1","108.35","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0466","0.0434","","","0.1105","0.1131","","","","","","1.101","","","","has coordinates","258713","2020-11-04","01:27:41",""
"1559496","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Kwesiga, George; Kelling, Alexandra; Kersting, Sebastian; Sperlich, Eric; von Nickisch-Rosenegk, Markus; Schmidt, Bernd","Total Syntheses of Prenylated Isoflavones from <i>Erythrina sacleuxii</i> and Their Antibacterial Activity: 5-Deoxy-3'-prenylbiochanin A and Erysubin F.","Journal of natural products","2020","83","11","3445","3453","10.1021/acs.jnatprod.0c00932","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","259526","2020-12-04","02:25:59",""
"1559506","6.784","0.003","23.336","0.007","29.173","0.011","90","","90","","90","","4618","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O5.5 -","- C26 H34 O5.5 -","- C208 H272 O44 -","8","2","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.1765","0.0919","","","0.2369","0.3035","","","","","","1.007","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559507","28.0904","0.0007","6.9424","0.0002","11.1265","0.0003","90","","90","","90","","2169.83","0.1","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.038","0.0354","","","0.0922","0.0944","","","","","","1.04","","","","has coordinates","259527","2020-12-04","02:26:11",""
"1559509","6.32712","0.00004","17.39284","0.00013","21.08445","0.00016","90","","90","","90","","2320.27","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian","l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus.","Journal of natural products","2020","83","11","3372","3380","10.1021/acs.jnatprod.0c00717","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0752","0.0773","","","","","","1.053","","","","has coordinates","259528","2020-12-04","02:26:17",""
"1559804","10.8235","0.0017","10.926","0.002","11.4404","0.0013","90","","94.553","0.013","90","","1348.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl3 O2 -","- C26 H37 Cl3 O2 -","- C52 H74 Cl6 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.2008","0.1155","","","0.2549","0.3274","","","","","","1.132","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559805","11.5452","0.0014","6.0471","0.0007","16.751","0.002","90","","105.919","0.003","90","","1124.6","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O2 -","- C25 H38 O2 -","- C50 H76 O4 -","2","1","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.105","0.0562","","","0.0569","0.0773","","","","","","0.967","","","","has coordinates","260432","2021-01-04","03:17:56",""
"1559806","20.7302","0.0008","27.0653","0.0011","8.4653","0.0004","90","","90","","90","","4749.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H40 O3 -","- C25 H40 O3 -","- C200 H320 O24 -","8","2","","Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui","Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512.","Journal of natural products","2020","83","12","3652","3660","10.1021/acs.jnatprod.0c00860","","","1.54178","CuKα","","0.1207","0.063","","","0.1285","0.1516","","","","","","1.033","","","","has coordinates,has disorder","260432","2021-01-04","03:17:56",""
"1559923","11.5284","0.0002","13.0274","0.0002","17.2404","0.0002","90","","90","","90","","2589.25","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Asperginol A","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","x-ray","1.54184","CuKα","","0.0457","0.0405","","","0.1065","0.1118","","","","","","1.034","","","","has coordinates","260401","2021-01-04","00:29:35",""
"1559924","12.4336","0.0005","17.1372","0.0006","17.1518","0.0012","90","","110.001","0.006","90","","3434.2","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Asperginol B","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","2","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","","1.54184","CuKα","","0.0615","0.0527","","","0.1495","0.1632","","","","","","0.936","","","","has coordinates","260402","2021-01-04","00:29:57",""
"1559925","7.2637","0.0003","11.5713","0.0005","25.4564","0.001","90","","90","","90","","2139.62","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0262","0.0261","","","0.0676","0.0676","","","","","","1.048","","","","has coordinates","260403","2021-01-04","00:30:35",""
"1559926","8.3567","0.0002","8.3567","0.0002","54.4587","0.0014","90","","90","","90","","3803.09","0.16","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0278","0.0276","","","0.0731","0.0732","","","","","","1.037","","","","has coordinates","260404","2021-01-04","00:31:00",""