DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:39 UTC
Update Date	2025-03-25 00:59:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237065
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₅NO₇
Molecular Mass	309.0849
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(C(=O)O)NC1O
InChI Key	FPZYANKQSVTRBW-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives enoate esters fatty acid esters hemiaminals hydrocarbon derivatives hydroxycinnamic acids organic oxides organopnictogen compounds pyrrolidine carboxylic acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid 1-hydroxy-2-unsubstituted benzenoid hydroxycinnamic acid or derivatives hemiaminal alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound alkanolamine enoate ester proline or derivatives secondary aliphatic amine azacycle 1-hydroxy-4-unsubstituted benzenoid secondary amine hydroxycinnamic acid fatty acid ester pyrrolidine carboxylic acid or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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