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Machine learning-assisted structure annotation of natural products based on MS and NMR data 期刊论文
NATURAL PRODUCT REPORTS, 2023, 卷号: 40, 期号: 11, 页码: 1735-1753
作者:  Hu,Guilin;  Qiu,Minghua
浏览  |  Adobe PDF(1931Kb)  |  收藏  |  浏览/下载:24/7  |  提交时间:2024/07/10
H-1-NMR CHEMICAL-SHIFTS  STRUCTURE-BASED PREDICTIONS  TANDEM MASS-SPECTRA  STRUCTURE ELUCIDATION  NEURAL-NETWORK  METABOLITE IDENTIFICATION  COMP  
Canthin-6-one ameliorates TNBS-induced colitis in rats by modulating inflammation and oxidative stress. An in vivo and in silico approach 期刊论文
BIOCHEMICAL PHARMACOLOGY, 2021, 卷号: 186, 页码: 114490
作者:  Arunachalam,Karuppusamy;  Damazo,Amilcar Sabino;  Macho,Antonio;  Matchado,Monica Steffi;  Pavan,Eduarda;  Figueiredo,Fabiana de Freitas;  Oliveira,Darley Maria;  Duckworth,Carrie A.;  Thangaraj,Parimelazhagan;  Leonti,Marco;  de Oliveira Martins,Domingos Tabajara
收藏  |  浏览/下载:56/0  |  提交时间:2022/04/02
Canthin-6-one  Inflammatory bowel disease  TNBS  Cytokines  Colitis  BOWEL-DISEASE  PROINFLAMMATORY CYTOKINES  CLINICAL-ASPECTS  ACTIVITY SPECTRA  PATHOGENESIS  DOCKING  CELLS  ACCUMULATION  PREDICTION  MODEL  
Phloroglucinol Glycosides from the Fresh Fruits of Eucalyptus maideni 期刊论文
JOURNAL OF NATURAL PRODUCTS, 2010, 卷号: 73, 期号: 2, 页码: 160-163
作者:  Tian, Li-Wen;  Zhang, Ying-Jun;  Qu, Chang;  Wang, Yi-Fei;  Yang, Chong-Ren
Adobe PDF(98Kb)  |  收藏  |  浏览/下载:375/177  |  提交时间:2012/03/21
Density-functional Theory  Optical-rotation  Chiral Molecules  Natural-products  Calamus  Sesquiterpenes  Rhizomes  Asarone  Spectra  Schott  
Chemical constituents from Craibiodendron yunnanense 期刊论文
HELVETICA CHIMICA ACTA, 2007, 卷号: 90, 期号: 8, 页码: 1477-1481
作者:  Yang, Sheng-Xiang;  Gao, Jin-Ming;  Qin, Jian-Chun;  Zhou, Lin;  Chiu, Ming-Hua;  Wang, Lei
Adobe PDF(63Kb)  |  收藏  |  浏览/下载:253/83  |  提交时间:2011/11/24
C-13  Nmr  Triterpenoids  Derivatives  Spectra  
New indole alkaloids from Rauvolfia yunnanensis 期刊论文
HELVETICA CHIMICA ACTA, 2006, 卷号: 89, 期号: 7, 页码: 1344-1350
作者:  Hu, Xu-Jia;  He, Hong-Ping;  Zhou, Hua;  Di, Ying-Tong;  Yang, Xian-Wen;  Hao, Xiao-Jiang;  Kong, Ling-Yi
Adobe PDF(388Kb)  |  收藏  |  浏览/下载:244/105  |  提交时间:2011/11/24
Configuration  Spectra  
DFT explorations of tautomerism of 2-mercaptoimidazole in aqueous solution 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 卷号: 730, 期号: 1-3, 页码: 199-205
Zhu, HJ; Ren, Y; Ren, J; Chu, SY
浏览  |  Adobe PDF(313Kb)  |  收藏  |  浏览/下载:361/167  |  提交时间:2012/10/12
Dft  2-mercaptoimidazole  Tautomerism  Water-assisted Proton Transfer  Intramolecular Proton-transfer  Direct-dynamics  Solvent  Glycine  Solvation  Spectra  Models  Equilibrium  Continuum  Cytosine