# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-19T08:35:51+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of agricultural and food chemistry') 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
"1501657","11.724","0.002","9.2465","0.0018","15.567","0.003","90","","95.26","0.03","90","","1680.4","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 O2 S -","- C16 H20 N4 O2 S -","- C64 H80 N16 O8 S4 -","4","1","","Wang, Huan; Yang, Zhikun; Fan, Zhijin; Wu, Qingjun; Zhang, Youjun; Mi, Na; Wang, Shouxin; Zhang, Zhengcai; Song, Haibin; Liu, Feng","Synthesis and insecticidal activity of N-tert-butyl-N,N'-diacylhydrazines containing 1,2,3-thiadiazoles.","Journal of agricultural and food chemistry","2011","59","2","628","634","10.1021/jf104004q","","","0.71073","MoKα","","0.0678","0.0547","","","0.1246","0.1317","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501658","16.4438","0.0017","10.2569","0.0011","11.1264","0.0012","90","","104.256","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl3 N6 O2 -","- C16 H13 Cl3 N6 O2 -","- C64 H52 Cl12 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0659","0.051","","","0.1347","0.1448","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501659","15.867","0.002","7.9286","0.0011","15.923","0.002","90","","113.221","0.002","90","","1840.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N6 O2 -","- C18 H19 Cl N6 O2 -","- C72 H76 Cl4 N24 O8 -","4","1","","Ye, Zhenjun; Xia, Shuang; Shao, Xusheng; Cheng, Jiagao; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong; Qian, Xuhong","Design, synthesis, crystal structure analysis, and insecticidal evaluation of phenylazoneonicotinoids.","Journal of agricultural and food chemistry","2011","59","19","10615","10623","10.1021/jf2029708","","","0.71073","MoKα","","0.0698","0.0526","","","0.1343","0.1446","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502653","11.008","0.002","12.502","0.003","13.118","0.003","74.75","0.03","71.81","0.03","65.93","0.03","1546.7","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.67 H21.33 N2.67 O3.33 S1.33 Sn1.33 -","- C18.6667 H21.3333 N2.66667 O3.33333 S1.33333 Sn1.33333 -","- C56 H64 N8 O10 S4 Sn4 -","3","1.5","","Wang, Zhi-Hong; Guo, Yan-Zhao; Zhang, Jun; Ma, Lin; Song, Hai-Bin; Fan, Zhi-Jin","Synthesis and biological activity of organotin 4-methyl-1,2,3-thiadiazole-5-carboxylates and benzo[1,2,3]thiadiazole-7-carboxylates.","Journal of agricultural and food chemistry","2010","58","5","2715","2719","10.1021/jf902168d","","","0.71073","MoKα","","0.0296","0.0252","","","0.0654","0.0667","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502654","14.4537","0.001","15.5982","0.0011","15.9569","0.0012","90","","106.962","0.002","90","","3441","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cl4 N8 O4 S2 -","- C30 H27 Cl4 N8 O4 S2.406 -","- C120 H108 Cl16 N32 O16 S9.624 -","4","1","","Shao, Xusheng; Xu, Zhiping; Zhao, Xianfeng; Xu, Xiaoyong; Tao, Liming; Li, Zhong; Qian, Xuhong","Synthesis, crystal structure, and insecticidal activities of highly congested hexahydroimidazo[1,2-a]pyridine derivatives: effect of conformation on activities.","Journal of agricultural and food chemistry","2010","58","5","2690","2695","10.1021/jf902513t","","","0.71073","MoKα","","0.1713","0.114","","","0.2933","0.3321","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502655","22.13","0.004","9.2835","0.0018","15.475","0.003","90","","92.678","0.004","90","","3175.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 Cl2 N4 O3 -","- C14.5 H16 Cl2 N4 O3 -","- C116 H128 Cl16 N32 O24 -","8","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.1271","0.0744","","","0.167","0.199","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502656","8.1431","0.0008","17.6252","0.0018","10.9792","0.0011","90","","108.142","0.002","90","","1497.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N4 O3 -","- C15 H17 Cl N4 O3 -","- C60 H68 Cl4 N16 O12 -","4","1","","Shao, Xusheng; Fu, Hua; Xu, Xiaoyong; Xu, Xinglei; Liu, Zewen; Li, Zhong; Qian, Xuhong","Divalent and oxabridged neonicotinoids constructed by dialdehydes and nitromethylene analogues of imidacloprid: design, synthesis, crystal structure, and insecticidal activities.","Journal of agricultural and food chemistry","2010","58","5","2696","2702","10.1021/jf902531y","","","0.71073","MoKα","","0.0614","0.0482","","","0.1193","0.1264","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502657","11.325","0.002","5.1849","0.001","23.851","0.005","90","","99.56","0.03","90","","1381.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N6 O S2 -","- C13 H10 N6 O S2 -","- C52 H40 N24 O4 S8 -","4","1","","Fan, Zhijin; Yang, Zhikun; Zhang, Haike; Mi, Na; Wang, Huan; Cai, Fei; Zuo, Xiang; Zheng, Qingxiang; Song, Haibin","Synthesis, crystal structure, and biological activity of 4-methyl-1,2,3-thiadiazole-containing 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles.","Journal of agricultural and food chemistry","2010","58","5","2630","2636","10.1021/jf9029628","","","0.71073","MoKα","","0.0396","0.0329","","","0.0866","0.0903","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506803","4.3791","0.0005","9.2158","0.0011","26.681","0.003","90","","92.748","0.002","90","","1075.5","0.2","243","2","243","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","resveratrol","trans [2,5,4'-trihydroxydiphenyl] ethylene","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Caruso, Francesco; Tanski, Joseph; Villegas-Estrada, Adriel; Rossi, Miriam","Structural basis for antioxidant activity of trans-resveratrol: ab initio calculations and crystal and molecular structure.","Journal of agricultural and food chemistry","2004","52","24","7279","7285","10.1021/jf048794e","","","0.71073","MoKα","","0.1355","0.0602","","","0.1298","0.1509","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507654","8.738","0.002","17.846","0.004","9.701","0.003","90","","114.164","0.004","90","","1380.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 Cl N6 O2 -","- C11 H15 Cl N6 O2 -","- C44 H60 Cl4 N24 O8 -","4","1","","Su, Wangcang; Zhou, Yihui; Ma, Yongqiang; Wang, Lei; Zhang, Zheng; Rui, Changhui; Duan, Hongxia; Qin, Zhaohai","N'-Nitro-2-hydrocarbylidenehydrazinecarboximidamides: Design, Synthesis, Crystal Structure, Insecticidal Activity, and Structure-Activity Relationships.","Journal of agricultural and food chemistry","2012","60","20","5028","5034","10.1021/jf300616x","","","0.71073","MoKα","","0.0583","0.0521","","","0.1178","0.1221","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508252","9.958","0.0012","11.116","0.0016","18.302","0.002","90","","90","","90","","2025.9","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl O5 -","- C20 H29 Cl O5 -","- C80 H116 Cl4 O20 -","4","1","","Xu, Jing; Jin, Da-Qing; Liu, Cuizhou; Xie, Chunfeng; Guo, Yuanqiang; Fang, Lingzhi","Isolation, Characterization, and NO Inhibitory Activities of Sesquiterpenes from Blumea balsamifera.","Journal of agricultural and food chemistry","2012","60","32","8051","8058","10.1021/jf302530u","","","0.71075","MoKα","","0.0313","0.0275","","","0.0666","0.0674","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508514","8.2068","0.0008","13.7427","0.0013","10.9809","0.0011","90","","93.496","0.002","90","","1236.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl N5 O7 -","- C24 H32 Cl N5 O7 -","- C48 H64 Cl2 N10 O14 -","2","1","","Sun, Chuan-Wen; Fang, Ting; Wang, Jing; Hao, Zhi-bing; Nan, Shi-bing","Synthesis, insecticidal activity, crystal structure, and molecular docking studies of nitenpyram analogues with an ω-hydroxyalkyl ester arm anchored on the tetrahydropyrimidine ring.","Journal of agricultural and food chemistry","2012","60","38","9553","9561","10.1021/jf3024479","","","0.71073","MoKα","","0.0461","0.0427","","","0.1205","0.1274","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508819","11.6146","0.0008","7.7855","0.0005","35.607","0.002","90","","90","","90","","3219.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H19 Cl N4 O4 -","- C15 H19 Cl N4 O4 -","- C120 H152 Cl8 N32 O32 -","8","2","","Ye, Zhenjun; Shi, Lina; Shao, Xusheng; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong","Pyrrole- and dihydropyrrole-fused neonicotinoids: design, synthesis, and insecticidal evaluation.","Journal of agricultural and food chemistry","2013","61","2","312","319","10.1021/jf3044132","","","0.71073","MoKα","","0.062","0.0457","","","0.1097","0.1213","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512126","13.1973","0.0018","10.9585","0.0015","24.226","0.003","90","","100.216","0.002","90","","3448.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H96 Cl2 O31 -","- C64 H92 Cl2 O31 -","- C128 H184 Cl4 O62 -","2","1","","Li, Yan-Ping; Li, Xiao-Nian; Gao, Ling-Huan; Li, Hai-Zhou; Wu, Guo-Xing; Li, Rong-Tao","Neopierisoids A and B, Two New Chlorinated 3,4-seco-Grayanane Diterpenoids with Antifeedant Activity from Flowers of Pieris japonica","Journal of Agricultural and Food Chemistry","2013","61","30","7219","","10.1021/jf401921x","","","0.71073","MoKα","","0.0865","0.0627","","","0.1628","0.1804","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513354","12.1371","0.0011","16.7863","0.0014","10.8176","0.0009","90","","96.76","0.002","90","","2188.6","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl N8 O6 -","- C21 H21 Cl N8 O6 -","- C84 H84 Cl4 N32 O24 -","4","1","","Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong","Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.","Journal of agricultural and food chemistry","2014","62","2","381","","10.1021/jf4046683","","","0.71073","MoKα","","0.0469","0.0378","","","0.1077","0.1144","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513801","9.6767","0.0007","13.3568","0.001","14.8222","0.0011","90","","90","","90","","1915.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N5 O2 -","- C21 H22 Cl N5 O2 -","- C84 H88 Cl4 N20 O8 -","4","1","","Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong","Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.","Journal of agricultural and food chemistry","2014","62","2","381","","10.1021/jf4046683","","","0.71073","MoKα","","0.0367","0.0331","","","0.0844","0.087","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517408","6.1375","0.0012","7.7099","0.0015","20.954","0.004","90","","90","","90","","991.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Lu, Aidang; Wang, Jinjin; Liu, Tengjiao; Han, Jian; Li, Yinhui; Su, Min; Chen, Jianxin; Zhang, Hui; Wang, Lizhong; Wang, Qingmin","Small Changes Result in Large Differences: Discovery of (-)-Incrustoporin Derivatives as Novel Antiviral and Antifungal Agents.","Journal of agricultural and food chemistry","2014","62","35","8799","8807","10.1021/jf503060k","","","0.71073","MoKα","","0.0422","0.0373","","","0.0854","0.0889","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518258","7.9515","0.0012","9.9767","0.0016","23.502","0.004","90","","97.878","0.003","90","","1846.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N5 O2 -","- C20 H20 Cl N5 O2 -","- C80 H80 Cl4 N20 O8 -","4","1","","Xu, Renbo; Luo, Ming; Xia, Rui; Meng, Xiaoqing; Xu, Xiaoyong; Xu, Zhiping; Cheng, Jiagao; Shao, Xusheng; Li, Houju; Li, Zhong","Seven-membered azabridged neonicotinoids: synthesis, crystal structure, insecticidal assay, and molecular docking studies.","Journal of agricultural and food chemistry","2014","62","46","11070","11079","10.1021/jf504014y","","","0.71073","MoKα","","0.0644","0.0542","","","0.1462","0.1541","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1531043","14.7352","0.0017","8.7127","0.0009","14.2158","0.0012","90","","114.431","0.012","90","","1661.7","0.3","293.18","0.1","293.18","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O7 -","- C19 H16 O7 -","- C76 H64 O28 -","4","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Zhou, Ai-Yu; Zhang, Yu; Du, Zhiyun; Zhang, Kun","α-Glucosidase Inhibition and Antihyperglycemic Activity of Phenolics from the Flowers of Edgeworthia gardneri.","Journal of agricultural and food chemistry","2015","63","37","8162","8169","10.1021/acs.jafc.5b03081","","x-ray","0.71073","MoKα","","0.1415","0.0713","","","0.1532","0.2056","","","","","","1.062","","","","has coordinates","160540","2020-10-21","18:00:00",""
"1540696","9.0359","0.0003","10.9281","0.0004","15.2645","0.0005","90","","90","","90","","1507.3","0.09","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O5 S -","- C12 H21 N O5 S -","- C48 H84 N4 O20 S4 -","4","1","","Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki","A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations.","Journal of agricultural and food chemistry","2015","63","50","10778","10784","10.1021/acs.jafc.5b05501","","","1.54178","","","0.027","0.025","","","0.0611","0.0621","","","","","","1.063","","","","has coordinates,has disorder","173582","2020-10-21","18:00:00",""
"1542439","12.18","0.005","15.448","0.006","22.984","0.01","90","","90","","90","","4325","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29.5 O6 -","- C23 H29.5 O6 -","- C184 H236 O48 -","8","2","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.1008","0.0566","","","0.1372","0.161","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542440","8.313","0.002","16.817","0.004","17.345","0.005","90","","90","","90","","2424.8","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 -","- C25 H38 O6 -","- C100 H152 O24 -","4","1","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.0555","0.0405","","","0.0823","0.0887","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542989","23.0058","0.001","15.2127","0.0005","7.8037","0.0003","90","","90","","90","","2731.14","0.18","293.89","0.1","154.89","0.1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C28 H34 O8 -","- C28 H34 O8 -","- C112 H136 O32 -","4","1","","Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang","Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.","Journal of agricultural and food chemistry","2016","64","11","2298","2306","10.1021/acs.jafc.6b00556","","x-ray","1.54184","CuKα","","0.0506","0.0443","","","0.1147","0.1205","","","","","","1.008","","","","has coordinates","181336","2020-10-21","18:00:00",""
"1545109","7.9986","0.0016","10.37","0.002","11.701","0.002","106.83","0.03","106.02","0.03","104.49","0.03","833.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C30 H32 N8 O8 S2 -","2","1","","Chen, Lai; Zhu, Yu-Jie; Fan, Zhijin; Guo, Xiao-Feng; Zhang, Zhi-Ming; Xu, Jing-Hua; Song, Ying-Qi; Morzherin, Yury Yurievich; Belskaya, Nataliya P.; Bakulev, Vasiliy A.","Synthesis of 1,2,3-Thiadizole and Thiazole Based Strobilurins as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05128","","","0.71073","MoKα","","0.0483","0.0359","","","0.101","0.1058","","","","","","1.029","","","","has coordinates","190790","2020-10-21","18:00:00",""
"1545316","13.0549","0.0013","6.8643","0.0007","15.8088","0.0015","90","","97.519","0.002","90","","1404.5","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 N2 O3 S2 -","- C14 H14 N2 O3 S2 -","- C56 H56 N8 O12 S8 -","4","1","","Zhou, Min; Ma, Hang-Ying; Liu, Zhi-Hua; Yang, Guang-Yu; Du, Gang; Ye, Yan-Qing; Li, Gan-Peng; Hu, Qiu-Fen","(+)-Meyeniins A-C, Novel Hexahydroimidazo[1,5-c]thiazole Derivatives from the Tubers of Lepidium meyenii: Complete Structural Elucidation by Biomimetic Synthesis and Racemic Crystallization.","Journal of agricultural and food chemistry","2017","","","","","10.1021/acs.jafc.6b05805","","","0.71073","MoKα","","0.0347","0.0299","","","0.08","0.0835","","","","","","1.085","","","","has coordinates","192644","2020-10-21","18:00:00",""
"1546981","13.5479","0.0019","9.9822","0.0012","15.552","0.002","90","","114.145","0.003","90","","1919.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O6 S -","- C16 H20 N6 O6 S -","- C64 H80 N24 O24 S4 -","4","1","","Zhou, Shaa; Hua, Xue-Wen; Wei, Wei; Gu, Yu-Cheng; Liu, Xiao-Qing; Chen, Jing-Huo; Chen, Ming-Gui; Xie, Yong-Tao; Zhou, Sha; Meng, Xiang-De; Zhang, Yan; Li, Yong-Hong; Wang, Bao-Lei; Song, Hai-Bin; Li, Zheng-Ming","Research on Controllable Degradation of Novel Sulfonylurea Herbicides in Acidic and Alkaline Soils.","Journal of agricultural and food chemistry","2017","65","35","7661","7668","10.1021/acs.jafc.7b03029","","","0.71075","MoKα","","0.1269","0.1195","","","0.3439","0.3482","","","","","","1.116","","","","has coordinates","200441","2020-10-21","18:00:00",""
"1547607","6.04476","0.00008","13.4804","0.00017","26.4744","0.0003","90","","90","","90","","2157.29","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C100 H140 N12 O4 -","4","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0378","","","0.0957","0.0969","","","","","","1.045","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547608","9.67127","0.00007","7.05127","0.00007","15.44464","0.00012","90","","93.4847","0.0006","90","","1051.3","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C48 H70 N2 O4 -","2","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0386","","","0.1023","0.1025","","","","","","1.042","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1548833","4.6368","0.0006","7.8718","0.0009","25.885","0.003","90","","93.657","0.002","90","","942.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H31 Cl O5 -","- C18 H31 Cl O5 -","- C36 H62 Cl2 O10 -","2","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","0.71073","MoKα","","0.0307","0.0275","","","0.0737","0.0811","","","","","","1.133","","","","has coordinates","205918","2020-10-21","18:00:00",""
"1548834","4.668","","9.785","0.0001","41.7773","0.0005","90","","90","","90","","1908.24","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 O7 -","- C18 H34 O7 -","- C72 H136 O28 -","4","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","1.54178","CuKα","","0.028","0.0278","","","0.0742","0.0744","","","","","","1.096","","","","has coordinates","205919","2020-10-21","18:00:00",""
"1549070","6.2081","0.0003","19.8715","0.0011","20.2149","0.0011","90","","90","","90","","2493.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C120 H152 O20 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Li, Zheng-Hui; Huang, Ying; Zhang, Shuai-Bing; Tang, Yang; Yao, Jian-Neng; Chen, Lin; Isaka, Masahiko; Feng, Tao; Liu, Ji-Kai","Antiproliferative and Anti-inflammatory Lanostane Triterpenoids from the Polish Edible Mushroom Macrolepiota procera.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.8b00287","","","1.54178","CuKα","","0.0547","0.0493","","","0.1274","0.1319","","","","","","1.061","","","","has coordinates","206962","2020-10-21","18:00:00",""
"1552482","7.144","0.0002","17.6831","0.0005","18.5462","0.0005","90","","90","","90","","2342.91","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","1","","Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo","Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.","Journal of agricultural and food chemistry","2019","67","43","11994","12001","10.1021/acs.jafc.9b05827","","","1.54184","CuKα","","0.0472","0.0432","","","0.1162","0.119","","","","","","1.052","","","","has coordinates,has disorder","223213","2020-10-21","18:00:00",""
"1552483","25.1091","0.0019","7.6592","0.0005","17.011","0.0012","90","","103.07","0.008","90","","3186.7","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C144 H152 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0487","0.0397","","","0.0879","0.0945","","","","","","1.096","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552484","7.7965","0.0009","8.649","0.0009","10.9982","0.0011","88.093","0.009","83.682","0.009","89.913","0.009","736.72","0.14","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0441","0.0386","","","0.0863","0.0906","","","","","","1.027","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552485","14.0408","0.001","15.4293","0.0013","16.5882","0.0013","90","","93.136","0.006","90","","3588.3","0.5","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C160 H184 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0625","0.0458","","","0.1062","0.1168","","","","","","1.04","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552486","7.2225","0.0005","9.7431","0.0007","13.8099","0.0007","72.442","0.005","88.586","0.005","80.117","0.006","912.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O3 -","- C21 H15 Cl2 N3 O3 -","- C42 H30 Cl4 N6 O6 -","2","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0486","0.0385","","","0.0935","0.1014","","","","","","1.038","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552534","8.6136","0.0012","11.249","0.0015","11.7697","0.0017","113.582","0.001","108.764","0.002","96.299","0.002","951.6","0.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl2 N2 O4 S -","- C18 H18 Cl2 N2 O4 S -","- C36 H36 Cl4 N4 O8 S2 -","2","1","","Chen, Lai; Zhao, Bin; Fan, Zhijin; Hu, Mengxu; Li, Qing; Hu, Wenhao; Li, Jiwei; Zhang, Jinlin","Discovery of Novel Isothiazole, 1,2,3-Thiadiazole, and Thiazole-Based Cinnamamides as Fungicidal Candidates.","Journal of agricultural and food chemistry","2019","","","","","10.1021/acs.jafc.9b03891","","","0.71073","MoKα","","0.0312","0.0294","","","0.0825","0.0835","","","","","","1.077","","","","has coordinates","220557","2020-10-21","18:00:00",""
"1552553","6.4844","0.0006","8.7749","0.0008","39.69","0.004","90","","90","","90","","2258.4","0.4","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N O5 -","- C23 H27 Cl N O5 -","- C92 H108 Cl4 N4 O20 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","","0.71073","MoKα","","0.1569","0.1441","","","0.3532","0.3645","","","","","","1.075","","","","has coordinates,has disorder","222056","2020-10-21","18:00:00",""
"1552554","7.3616","0.0005","8.6802","0.0004","31.9635","0.0016","90","","92.7","0.006","90","","2040.2","0.2","293","2","293.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C21 H24 Cl N O4 -","- C21 H24 Cl N O4 -","- C84 H96 Cl4 N4 O16 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","x-ray","0.71073","MoKα","","0.0517","0.0412","","","0.0899","0.0983","","","","","","1.052","","","","has coordinates","222057","2020-10-21","18:00:00",""
"1552555","19.735","0.007","7.1382","0.0019","13.804","0.004","90","","95.834","0.009","90","","1934.5","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 N4 O S2 -","- C19 H14 Cl2 N4 O S2 -","- C76 H56 Cl8 N16 O4 S8 -","4","1","","Wu, Qifan; Zhao, Bin; Fan, Zhijin; Guo, Xiaofeng; Yang, Dongyan; Zhang, Nailou; Yu, Bin; Zhou, Shuang; Zhao, Jiabao; Chen, Fan","Discovery of Novel Piperidinylthiazole Derivatives As Broad-Spectrum Fungicidal Candidates.","Journal of agricultural and food chemistry","2019","67","5","1360","1370","10.1021/acs.jafc.8b06054","","","0.71073","MoKα","","0.0354","0.0275","","","0.0703","0.0734","","","","","","1.026","","","","has coordinates","222058","2020-10-21","18:00:00",""
"1552556","17.488","0.004","8.8509","0.0018","9.5081","0.0019","90","","97.51","0.03","90","","1459.1","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.1005","0.0762","","","0.2098","0.2317","","","","","","1.03","","","","has coordinates","222059","2020-10-21","18:00:00",""
"1552557","7.2642","0.0015","11.55","0.002","13.424","0.003","69.71","0.03","84.79","0.03","73.31","0.03","1011.9","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F4 N2 O3 S2 -","- C19 H15 F4 N2 O3 S2 -","- C38 H30 F8 N4 O6 S4 -","2","1","","Guo, Xiaofeng; Zhao, Bin; Fan, Zhijin; Yang, Dongyan; Zhang, Nailou; Wu, Qifan; Yu, Bin; Zhou, Shuang; Kalinina, Tatiana A.; Belskaya, Nataliya P.","Discovery of Novel Thiazole Carboxamides as Antifungal Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2019","67","6","1647","1655","10.1021/acs.jafc.8b06935","","","0.71073","MoKα","","0.0896","0.0538","","","0.1337","0.1927","","","","","","1.012","","","","has coordinates","222060","2020-10-21","18:00:00",""
"1552919","8.18909","0.0001","29.7457","0.0005","15.1177","0.0003","90","","90.1069","0.0015","90","","3682.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl6 O10 -","- C31 H40 Cl6 O10 -","- C124 H160 Cl24 O40 -","4","2","","Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping","Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus <i>Myrothecium roridum</i>.","Journal of agricultural and food chemistry","2019","67","47","13033","13039","10.1021/acs.jafc.9b04507","","x-ray","1.54184","CuKα","","0.0698","0.0619","","","0.1724","0.1832","","","","","","1.025","","","","has coordinates,has disorder","246568","2020-10-21","18:00:00",""
"1552922","10.994","0.002","19.344","0.004","8.4094","0.0017","90","","100.34","0.03","90","","1759.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl2 F2 N3 O -","- C18 H13 Cl2 F2 N3 O -","- C72 H52 Cl8 F8 N12 O4 -","4","1","","Yang, Dongyan; Zhao, Bin; Fan, Zhijin; Yu, Bin; Zhang, Nailou; Li, Zhengming; Zhu, Yilin; Zhou, Jinghui; Kalinina, Tatiana A.; Glukhareva, Tatiana V.","Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates.","Journal of agricultural and food chemistry","2019","67","47","13185","13194","10.1021/acs.jafc.9b05751","","","0.71073","MoKα","","0.0923","0.0599","","","0.145","0.1903","","","","","","1.04","","","","has coordinates","246567","2020-10-21","18:00:00",""
"1553243","13.0489","0.0003","12.6807","0.0003","7.92534","0.00019","90","","90","","90","","1311.4","0.05","108.5","","108.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhang, Xiao-Yan; Liu, Zhan-Liang; Sun, Bing-Da; Niu, Shu-Bin; Wang, Meng-Hua; Tan, Xiang-Mei; Zou, Zhong-Mei; Ding, Gang","Bioactive Resorcylic Acid Lactones with Different Ring Systems from Desert Plant Chaetosphaeronema hispidulum. [corrected].","Journal of agricultural and food chemistry","2018","66","34","8976","8982","10.1021/acs.jafc.8b02648","","","1.5418","CuKα","","0.033","0.0322","","","0.0856","0.0863","","","","","","1.046","","","","has coordinates","234001","2020-10-21","18:00:00",""
"1557352","37.059","0.002","6.5105","0.0004","12.0031","0.0007","90","","104.561","0.003","90","","2803","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C120 H176 O32 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.1112","0.1024","","","0.2843","0.3028","","","","","","1.268","","","","has coordinates","248346","2020-10-21","18:00:00",""
"1557353","8.7074","0.0002","11.7878","0.0003","26.4646","0.0006","90","","90","","90","","2716.36","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O7 -","- C30 H44 O7 -","- C120 H176 O28 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.0479","0.0415","","","0.1126","0.119","","","","","","0.893","","","","has coordinates","248347","2020-10-21","18:00:00",""
"1557786","6.7541","0.0008","13.6991","0.0017","21.781","0.003","90","","90","","90","","2015.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0471","0.0418","","","0.1184","0.1238","","","","","","1.065","","","","has coordinates","250724","2020-10-21","18:00:00",""
"1557787","8.0964","0.0009","14.0282","0.0013","17.5127","0.0017","90","","90","","90","","1989.1","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0561","0.0366","","","0.0806","0.0949","","","","","","1.078","","","","has coordinates","250725","2020-10-21","18:00:00",""
"1558429","8.0375","0.0002","9.3645","0.0002","12.0386","0.0003","92.048","0.002","106.633","0.002","102.379","0.002","843.44","0.04","294.15","","294.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H11 Br F2 N4 O S -","- C15 H11 Br F2 N4 O S -","- C30 H22 Br2 F4 N8 O2 S2 -","2","1","","Yu, Bin; Zhou, Shuang; Cao, Lixin; Hao, Zesheng; Yang, Dongyan; Guo, Xiaofeng; Zhang, Nailou; Bakulev, Vasiliy A.; Fan, Zhijin","Design, Synthesis and Evaluation of Antifungal Activity of Novel Pyrazole-thiazole Carboxamides as Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00062","","x-ray","0.71073","MoKα","","0.053","0.0385","","","0.0946","0.1018","","","","","","1.038","","","","has coordinates,has disorder","253486","2020-10-21","18:00:00",""
"1559808","6.6263","0.0001","12.3911","0.0002","16.6583","0.0003","90","","90","","90","","1367.77","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0279","","","0.0718","0.0718","","","","","","1.1","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559809","22.252","0.002","6.8553","0.0006","8.7551","0.0008","90","","90","","90","","1335.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.1309","0.0815","","","0.1901","0.2334","","","","","","1.066","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559810","6.3065","0.0003","7.0893","0.0003","32.1064","0.0014","90","","90","","90","","1435.43","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0278","","","0.0763","0.0764","","","","","","1.064","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559885","26.767","0.004","15.402","0.003","20.763","0.006","90","","124.29","0.004","90","","7072","3","273.15","","273.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C H Cd Cl N O Zn0.02 -","- C86 H80 Cl8 N42 O20 Zn2 -","- C172 H160 Cl16 N84 O40 Zn4 -","2","0.25","","Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin","Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle","Journal of Agricultural and Food Chemistry","2020","","","","","10.1021/acs.jafc.0c05577","","x-ray","0.71073","MoKα","","0.1003","0.0801","","","0.2768","0.3001","","","","","","1.087","","","","has coordinates,has disorder","260273","2020-12-31","00:09:22",""
"1564222","8.5569","0.0017","9.1775","0.0018","12.041","0.002","86.23","0.03","79.99","0.03","73.89","0.03","894.5","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl N4 O5 S -","- C15 H17 Cl N4 O5 S -","- C30 H34 Cl2 N8 O10 S2 -","2","1","","Wang, Hai-Lian; Li, Hao-Ran; Zhang, Yi-Chi; Yang, Wen-Tao; Yao, Zheng; Wu, Ren-Jun; Niu, Cong-Wei; Li, Yong-Hong; Wang, Jian-Guo","Discovery of <i>ortho-</i>Alkoxy Substituted Novel Sulfonylurea Compounds That Display Strong Herbicidal Activity against Monocotyledon Grasses.","Journal of agricultural and food chemistry","2021","","","","","10.1021/acs.jafc.1c02081","","","0.71073","MoKα","","0.0583","0.0426","","","0.107","0.1142","","","","","","1.07","","","","has coordinates","267680","2021-07-21","23:05:35",""
"1565108","9.243","0.0002","10.9509","0.0003","13.4319","0.0004","90","","90","","90","","1359.57","0.06","150","2","150.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li-Bin, Lin; Xiao, Jian; Zhang, Qiang; Han, Rui; Xu, Biao; Yang, Sheng-Xiang; Han, Wen-Bo; Tang, Jiang-Jiang; Gao, Jin-Ming","Eremophilane Sesquiterpenoids with Antibacterial and Anti-inflammatory Activities from the Endophytic Fungus <i>Septoria rudbeckiae</i>.","Journal of agricultural and food chemistry","2021","69","40","11878","11889","10.1021/acs.jafc.1c04131","","","1.54184","CuKα","","0.0417","0.0358","","","0.0765","0.0791","","","","","","1.118","","","","has coordinates","270279","2021-11-04","00:07:10",""
"1565500","5.6003","0.0001","10.154","0.0003","13.8448","0.0003","105.521","0.002","92.92","0.002","102.47","0.002","735.72","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 F3 N3 O2 S -","- C15 H10 F3 N3 O2 S -","- C30 H20 F6 N6 O4 S2 -","2","1","","Yang, Zihui; Sun, Yue; Liu, Qingsong; Li, Aliang; Wang, Wenyan; Gu, Wen","Design, Synthesis, and Antifungal Activity of Novel Thiophene/Furan-1,3,4-Oxadiazole Carboxamides as Potent Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2021","69","45","13373","13385","10.1021/acs.jafc.1c03857","","","1.54178","CuKα","","0.0549","0.0543","","","0.1589","0.1596","","","","","","1.01","","","","has coordinates","271075","2021-12-04","00:55:53",""
"1566733","7.2319","0.0004","11.7336","0.0007","16.6396","0.0012","102.141","0.006","94.257","0.005","104.092","0.005","1327.08","0.15","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O5 S -","- C32 H28 N2 O5 S -","- C64 H56 N4 O10 S2 -","2","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.1357","0.0704","","","0.1406","0.1759","","","","","","1.027","","","","has coordinates","274286","2022-04-03","23:11:36",""
"1566734","9.6146","0.0003","15.9025","0.0004","29.7245","0.0007","90","","90","","90","","4544.8","0.2","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 S -","- C29 H22 N2 O4 S -","- C232 H176 N16 O32 S8 -","8","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.058","0.0468","","","0.1122","0.1201","","","","","","1.036","","","","has coordinates","274287","2022-04-03","23:12:12",""
"1566735","19.4942","0.0005","8.0752","0.0002","27.7657","0.0006","90","","102.868","0.002","90","","4261.09","0.18","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl F3 N4 O -","- C22 H22 Cl F3 N4 O -","- C176 H176 Cl8 F24 N32 O8 -","8","1","","Sun, Susu; Chen, Lai; Huo, Jingqian; Wang, Ying; Kou, Song; Yuan, Shitao; Fu, Yining; Zhang, Jinlin","Discovery of Novel Pyrazole Amides as Potent Fungicide Candidates and Evaluation of Their Mode of Action.","Journal of agricultural and food chemistry","2022","70","11","3447","3457","10.1021/acs.jafc.2c00092","","x-ray","0.71073","MoKα","","0.0396","0.0353","","","0.0897","0.092","","","","","","1.04","","","","has coordinates","274288","2022-04-03","23:12:36",""