DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:34 UTC
Update Date	2025-03-25 00:56:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221197
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₆O₁₇
Molecular Mass	622.117
SMILES	O=C(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key	KAMAXUQMIIJCNG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	isoflavonoids
Subclass	isoflavonoid o-glycosides
Direct Parent	isoflavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones dicarboxylic acids and derivatives glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives isoflavones monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranones and derivatives secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid isoflavonoid-7-o-glycoside monosaccharide carboxylic acid derivative pyran carboxylic acid isoflavonoid-8-o-glycoside 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound pyranone oxane organoheterocyclic compound isoflavone alcohol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound isoflavonoid o-glycoside hydroxy acid oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organooxygen compound

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