DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:37 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186784
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆N₂O₆
Molecular Mass	308.1008
SMILES	Nc1ccccc1C(O)=CC(=O)CC(NCC(=O)O)C(=O)O
InChI Key	XHDWRTLLNODODP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	cinnamic acids and derivatives
Direct Parent	cinnamic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acryloyl compounds alpha amino acids amino acids amino fatty acids benzene and substituted derivatives carbocyclic fatty acids carboxylic acids dialkylamines dicarboxylic acids and derivatives enones fatty acyls gamma-keto acids and derivatives hydrocarbon derivatives hydroxy fatty acids ketones medium-chain keto acids and derivatives organic oxides organopnictogen compounds primary amines vinylogous acids
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives alpha,beta-unsaturated ketone carboxylic acid derivative ketone cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid enone secondary aliphatic amine secondary amine amino fatty acid gamma-keto acid aromatic homomonocyclic compound vinylogous acid organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative benzenoid acryloyl-group primary amine organic nitrogen compound amine organooxygen compound medium-chain keto acid

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