DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:16 UTC
Update Date	2025-03-25 00:56:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220514
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₄O₆
Molecular Mass	302.079
SMILES	O=C(O)COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
InChI Key	UAFJVHQPTXMFGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	stilbenes
Subclass	stilbenes
Direct Parent	stilbenes
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers alkyl-phenylketones aryl alkyl ketones benzoyl derivatives carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides phenol ethers phenoxy compounds phenoxyacetic acid derivatives resorcinols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety phenoxyacetate carbonyl group ether carboxylic acid aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether carboxylic acid derivative resorcinol ketone organic oxide 1-hydroxy-4-unsubstituted benzenoid phenylketone aromatic homomonocyclic compound vinylogous acid monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone stilbene

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