DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:49 UTC
Update Date	2025-03-25 00:57:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224062
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₃NO₆
Molecular Mass	279.0743
SMILES	O=C(Cc1ccc(O)c(O)c1)OC1C=NC(C(=O)O)C1
InChI Key	KGBUACKDMMFKLE-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives imines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroline 2-carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle pyrroline carboxylic acid or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid pyrroline 2-carboxylic acid pyrroline organic oxygen compound pyrroline carboxylic acid carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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