DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:33 UTC
Update Date	2025-03-25 00:53:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202479
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₅NO₄
Molecular Mass	309.1001
SMILES	O=C(O)c1cc2ccccc2n1C(Cc1ccccc1)C(=O)O
InChI Key	HVXRVSYCXHJRAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	indoles and derivatives
Subclass	indolecarboxylic acids and derivatives
Direct Parent	indolecarboxylic acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids and derivatives amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles n-alkylindoles organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids pyrrole 2-carboxylic acids pyrrole carboxylic acids and derivatives substituted pyrroles
Substituents	monocyclic benzene moiety carbonyl group n-alkylindole carboxylic acid 3-phenylpropanoic-acid indole alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative organic oxide pyrrole-2-carboxylic acid pyrrole-2-carboxylic acid or derivatives aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound amphetamine or derivatives indolecarboxylic acid derivative azacycle heteroaromatic compound organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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