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	DMID02186774
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₅NO₅
Molecular Mass	301.095
SMILES	Nc1ccccc1C(=O)OC(Cc1cccc(O)c1)C(=O)O
InChI Key	RNSHCVKDIIOISQ-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 benzoic acid esters benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid benzoate ester carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound vinylogous amide benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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