AIDS-085621 (BioDeep_00000865242)

代谢物信息卡片

3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl] ester

化学式: C20H20O14 (484.085302)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI: InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1

描述信息

同义名列表

16 个代谢物同义名

3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl] ester; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl] ester; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate; Gallic acid, 21,5-diester with 2-C-(hydroxymethyl)-D-ribose; 1,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; 1,6-bis-O-galloyl-beta-D-glucose; 1-O,6-O-Digalloyl-beta-D-glucose; 1,6-Di-O-galloyl-glucose; MEGxp0_001021; ACon1_001593; AIDS-085621; CHEBI:15723; AIDS085621; C04101

数据库引用编号

7 个数据库交叉引用编号

ChEBI: CHEBI:15723
KEGG: C04101
PubChem: 440221
ChEMBL: CHEMBL522251
CAS: 23363-08-8
PubChem: 6792
NIKKAJI: J417.532H

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

22 个相关的物种来源信息

139012 - Acacia mearnsii: 10.1021/NP100372T
7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
4443 - Camellia japonica: 10.1248/CPB.42.1399
452972 - Camellia reticulata: 10.1002/HLCA.200890142
43233 - Elaeagnus umbellata: 10.1248/CPB.47.536
210355 - Epilobium hirsutum: 10.1016/S0031-9422(97)00370-1
713921 - Eucalyptus consideniana: 10.1016/S0367-326X(00)00252-5
457253 - Euphorbia jolkinii: 10.1021/NP0400297
345239 - Geranium thunbergii: 10.1016/0031-9422(91)85260-7
47247 - Lotus corniculatus: 10.1016/0031-9422(90)89047-D
29747 - Mallotus japonicus: 10.1016/0031-9422(90)89047-D
73757 - Melaleuca ericifolia: 10.1016/J.PHYTOCHEM.2007.03.010
238288 - Oenothera laciniata: 10.1016/S0031-9422(97)01007-8
293060 - Phyllanthus amarus: 10.1016/0031-9422(93)85545-3
296036 - Phyllanthus emblica: 10.1021/NP010370G
296033 - Phyllanthus virgatus: 10.1021/NP970336V
91224 - Platycarya strobilacea: 10.1248/CPB.41.1708
1566593 - Rhynchosia volubilis: 10.1248/BPB.24.1443
155022 - Terminalia chebula:
138033 - Vachellia nilotica: 10.1016/J.FITOTE.2011.08.020
138046 - Vachellia tortilis: 10.1016/0031-9422(91)80106-B
58880 - 余甘子: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Marinella De Leo, Alessandra Braca, Nunziatina De Tommasi, Ivan Norscia, Ivano Morelli, Lucia Battinelli, Gabriela Mazzanti. Phenolic compounds from Baseonema acuminatum leaves: isolation and antimicrobial activity. Planta medica. 2004 Sep; 70(9):841-6. doi: 10.1055/s-2004-827233. [PMID: 15503354]
Lan-zhen Zhang, Wen-hua Zhao, Ya-jian Guo, Guang-zhong Tu, Shu Lin, Lin-guang Xin. [Studies on chemical constituents in fruits of Tibetan medicine Phyllanthus emblica]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2003 Oct; 28(10):940-3. doi: . [PMID: 15620182]
S el-Mekkawy, M R Meselhy, I T Kusumoto, S Kadota, M Hattori, T Namba. Inhibitory effects of Egyptian folk medicines on human immunodeficiency virus (HIV) reverse transcriptase. Chemical & pharmaceutical bulletin. 1995 Apr; 43(4):641-8. doi: 10.1248/cpb.43.641. [PMID: 7541317]