DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:39 UTC
Update Date	2025-03-25 01:01:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250907
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇NO₆
Molecular Mass	283.1056
SMILES	O=C(O)CCCNCCC(=O)c1c(O)cc(O)cc1O
InChI Key	IVPOMZVAYUSRRM-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 acylphloroglucinols and derivatives amino acids aryl alkyl ketones benzoyl derivatives carboxylic acids dialkylamines gamma amino acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds vinylogous acids
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid gamma amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative phloroglucinol derivative organic oxide organonitrogen compound organopnictogen compound acylphloroglucinol derivative secondary aliphatic amine benzenetriol 1-hydroxy-4-unsubstituted benzenoid secondary amine aromatic homomonocyclic compound vinylogous acid monocarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound alkyl-phenylketone amine

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