DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:57 UTC
Update Date	2025-03-21 17:57:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00010703
Frequency	438.1
Structure
Chemical Formula	C₉H₁₁NO₃
Molecular Mass	181.0739
SMILES	Nc1c(O)cccc1CCC(=O)O
InChI Key	HNFQZSAAQXGKAD-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 hydrocarbon derivatives monocarboxylic acids and 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 monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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