DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:20 UTC
Update Date	2025-03-21 17:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006906
Frequency	740.8
Structure
Chemical Formula	C₁₀H₁₁NO₄
Molecular Mass	209.0688
SMILES	Nc1c(O)cccc1C(=O)CCC(=O)O
InChI Key	RTTTWKTYUBUZKP-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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