DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:44 UTC
Update Date	2025-03-25 00:47:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161800
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₂O₁₂
Molecular Mass	538.1111
SMILES	O=C(O)C1OC(Oc2c(O)ccc3oc(-c4ccc(O)cc4)c(-c4ccc(O)cc4)c(=O)c23)C(O)C(O)C1O
InChI Key	WTWOEMVZXXYEPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 4'-hydroxyflavonoids 6-hydroxyflavonoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives isoflavones isoflavonoid o-glycosides monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous esters
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives 1-benzopyran o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid flavonoid-5-o-glucuronide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound isoflavonoid pyranone oxane organoheterocyclic compound isoflavone alcohol benzopyran pyran carboxylic acid or derivatives vinylogous ester 6-hydroxyflavonoid heteroaromatic compound isoflavonoid o-glycoside isoflavonoid skeleton hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid isoflavonoid-5-o-glycoside organooxygen compound

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