DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:31 UTC
Update Date	2025-03-25 00:50:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181968
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₄O₆
Molecular Mass	360.1573
SMILES	O=C(O)C(Cc1cccc(O)c1)CC(O)C(CO)Cc1cccc(O)c1
InChI Key	ADUPKCDLGHDKKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	phenylpropanoic acids
Subclass	phenylpropanoic acids
Direct Parent	phenylpropanoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives branched fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides primary alcohols secondary alcohols
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative medium-chain hydroxy acid organic oxide medium-chain fatty acid hydroxy fatty acid primary alcohol alcohol 1-hydroxy-4-unsubstituted benzenoid branched fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenol hydrocarbon derivative benzenoid organooxygen compound

Showing information for DMID02181968