DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:36 UTC
Update Date	2025-03-25 00:50:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02182151
Frequency	0.5
Structure
Chemical Formula	C₂₅H₂₀O₁₁
Molecular Mass	496.1006
SMILES	O=C(O)C1OC(Oc2ccc3ccc4oc(-c5ccc(O)cc5)cc(=O)c4c3c2O)C(O)C(O)C1O
InChI Key	JOLGRFDKMZVADU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	hydroxyflavonoids
Direct Parent	4'-hydroxyflavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids chromones flavonoids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides naphthols and derivatives naphthopyrans 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 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 benzopyran pyran carboxylic acid or derivatives heteroaromatic compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle naphthopyran monocarboxylic acid or derivatives naphthalene organic oxygen compound pyran secondary alcohol 4'-hydroxyflavonoid phenol hydrocarbon derivative 1-naphthol benzenoid organooxygen compound

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