Kaempferol 3-O-beta-D-2-(glucosyl-rutinoside) (BioDeep_00000227506)

human metabolite PANOMIX_OTCML-2023 natural product

代谢物信息卡片

化学式: C33H40O20 (756.211284)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1

描述信息

Kaempferol 3-o-beta-d-2-(glucosyl-rutinoside), also known as kaempferol-gal-rha-glu, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-beta-d-2-(glucosyl-rutinoside) is soluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-beta-d-2-(glucosyl-rutinoside) can be found in soy bean, which makes kaempferol 3-o-beta-d-2-(glucosyl-rutinoside) a potential biomarker for the consumption of this food product.

同义名列表

6 个代谢物同义名

3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol 3-O-beta-D-2-(glucosyl-rutinoside); Kaempferol 3-O-β-D-2-(glucosyl-rutinoside); Kaempferol 3-O-b-D-2-(glucosyl-rutinoside); kaempferol-Gal-Rha-Glu

数据库引用编号

5 个数据库交叉引用编号

HMDB: HMDB0302644
KNApSAcK: C00005216
foodb: FDB005585
chemspider: 10290067
LOTUS: LTS0036459

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)

20 个相关的物种来源信息

40552 - Asparagaceae: LTS0036459
2759 - Eukaryota: LTS0036459
3803 - Fabaceae: LTS0036459
9606 - Homo sapiens: -
13090 - Hosta: LTS0036459
39527 - Hosta ventricosa: 10.1016/0031-9422(90)85292-N
39527 - Hosta ventricosa: LTS0036459
23109 - Hydrangea: LTS0036459
23110 - Hydrangea macrophylla: 10.3987/COM-98-S(H)76
23110 - Hydrangea macrophylla: LTS0036459
23097 - Hydrangeaceae: LTS0036459
4447 - Liliopsida: LTS0036459
3398 - Magnoliopsida: LTS0036459
3792 - Saxifragaceae: LTS0036459
35493 - Streptophyta: LTS0036459
137301 - Styphnolobium: LTS0036459
3897 - Styphnolobium japonicum: 10.1016/J.PHYTOCHEM.2009.04.003
3897 - Styphnolobium japonicum: LTS0036459
58023 - Tracheophyta: LTS0036459
33090 - Viridiplantae: LTS0036459

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。