DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:03 UTC
Update Date	2025-03-25 00:59:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237958
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₆
Molecular Mass	309.1212
SMILES	O=C(O)CCC(CC(=O)O)N=C(O)CCc1cccc(O)c1
InChI Key	WIIPHDHMLXIXOC-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	fatty acyl carbocyclic fatty acid carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid amino fatty acid aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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