DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:12 UTC
Update Date	2025-03-25 00:50:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02183515
Frequency	0.5
Structure
Chemical Formula	C₂₀H₁₈O₁₂
Molecular Mass	450.0798
SMILES	O=C(O)c1ccccc1C(=O)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	TVIDLMPRMAVBEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzophenones
Direct Parent	benzophenones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals aryl ketones aryl-phenylketones benzoic acids benzoyl derivatives beta hydroxy acids and derivatives dicarboxylic acids and derivatives diphenylmethanes glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenol ethers phenoxy compounds pyran carboxylic acids resorcinols secondary alcohols vinylogous acids
Substituents	diphenylmethane phenol ether carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid resorcinol benzophenone ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal 1-carboxy-2-haloaromatic compound benzoic acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives aryl-phenylketone benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle vinylogous acid organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound organooxygen compound aryl ketone

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