DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:38 UTC
Update Date	2025-03-21 18:30:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082896
Frequency	34.8
Structure
Chemical Formula	C₁₆H₁₅NO₅
Molecular Mass	301.095
SMILES	O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccc(O)cc1
InChI Key	JMHVFYTUWKSJAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	alkaloids and derivatives
Class	amaryllidaceae alkaloids
Subclass	norbelladine-type amaryllidaceae alkaloids
Direct Parent	norbelladine-type amaryllidaceae alkaloids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound norbelladine skeleton organooxygen compound

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