DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:35 UTC
Update Date	2025-03-25 00:56:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221200
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₈O₁₂
Molecular Mass	462.0798
SMILES	O=C(O)C1OC(Oc2ccc(O)cc2-c2cc(=O)c3c(O)cc(O)cc3o2)C(O)C(O)C1O
InChI Key	BGHQZQWFSZQDLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	5-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4-alkoxyphenols 7-hydroxyflavonoids acetals beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids pyranones and derivatives secondary alcohols vinylogous acids
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 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal chromone aromatic heteropolycyclic compound pyranone oxane organoheterocyclic compound alcohol 4-alkoxyphenol benzopyran pyran carboxylic acid or derivatives heteroaromatic compound 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxacycle vinylogous acid monocarboxylic acid or derivatives organic oxygen compound pyran 7-hydroxyflavonoid secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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