DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:49 UTC
Update Date	2025-03-21 18:02:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00038123
Frequency	91.9
Structure
Chemical Formula	C₁₁H₁₂N₂O₅
Molecular Mass	252.0746
SMILES	Nc1c(C(=O)O)cccc1C(=O)CC(N)C(=O)O
InChI Key	BBKNQOVZFQMKRZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alpha amino acids amino acids aryl alkyl ketones benzoic acids benzoyl derivatives butyrophenones dicarboxylic acids and derivatives gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide benzoic acid or derivatives gamma-keto acid butyrophenone aromatic homomonocyclic compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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