DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:10 UTC
Update Date	2025-03-21 18:02:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036553
Frequency	96.7
Structure
Chemical Formula	C₁₀H₁₁NO₅
Molecular Mass	225.0637
SMILES	Nc1c(O)cccc1C(CC(=O)O)C(=O)O
InChI Key	WTQRCSMCBJDALD-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 amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid carboxylic acid derivative aromatic homomonocyclic compound organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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