DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:22 UTC
Update Date	2025-03-25 00:47:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163273
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₉NO₇
Molecular Mass	361.1162
SMILES	O=C(O)C1=CC(=CC=NC(Cc2cc(O)cc(O)c2)C(=O)O)CC(O)C1
InChI Key	QFHBZUMGWCRUTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds resorcinols secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid resorcinol propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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