Astragalin 2'-[glucosyl-(1->2)-galactoside] (BioDeep_00000266514)

human metabolite PANOMIX_OTCML-2023 natural product

代谢物信息卡片

化学式: C33H40O21 (772.206199)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 1.54%

分子结构信息

SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O
InChI: InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2

描述信息

Constituent of the seeds of black cumin (Nigella sativa). Astragalin 2-[glucosyl-(1->2)-galactoside] is found in herbs and spices.

同义名列表

15 个代谢物同义名

3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 3- [ (O-beta-D-Glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl) oxy ] -5,7-dihydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one; 3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 3-[(O-Β-D-glucopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 3-[(O-b-D-Glucopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Kaempferol 3-glucosyl- (1->2) -galactosyl- (1->2) -glucoside; Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside; Astragalin 2-[glucosyl-(1->2)-galactoside]; 2)-O-beta-D-galactopyranosyl-(1-; 3-[(O-beta-D-Glucopyranosyl-(1-; Kaempferol 3-glucosyl-(1-; 2)-galactosyl-(1-; 2)-glucoside

数据库引用编号

8 个数据库交叉引用编号

PubChem: 57509382
HMDB: HMDB0303176
KNApSAcK: C00013750
foodb: FDB016669
chemspider: 24785343
CAS: 197250-98-9
Flavonoid: FL5FAAGS0083
LOTUS: LTS0187250

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)

17 个相关的物种来源信息

2759 - Eukaryota: LTS0187250
3803 - Fabaceae: LTS0187250
9606 - Homo sapiens: -
3398 - Magnoliopsida: LTS0187250
3443 - Nigella: LTS0187250
1439910 - Nigella glandulifera: 10.1007/S10600-008-9066-3
1439910 - Nigella glandulifera: 10.1080/14786419.2010.534470
1439910 - Nigella glandulifera: LTS0187250
555479 - Nigella sativa: 10.1016/S0031-9422(97)00296-3
555479 - Nigella sativa: LTS0187250
3887 - Pisum: LTS0187250
3888 - Pisum sativum: 10.1248/CPB.49.1003
3888 - Pisum sativum: LTS0187250
3440 - Ranunculaceae: LTS0187250
35493 - Streptophyta: LTS0187250
58023 - Tracheophyta: LTS0187250
33090 - Viridiplantae: LTS0187250

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。