DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:57 UTC
Update Date	2025-03-25 00:46:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153364
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	COc1ccc(NC=O)c(C(=O)C(N)CCC(=O)O)c1
InChI Key	NODRYBJSXZRFTE-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	alkyl aryl ethers amino fatty acids anilides anisoles aryl alkyl ketones benzoyl derivatives butyrophenones carbocyclic fatty acids carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives methoxybenzenes monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid phenol ether monocyclic benzene moiety ether carboxylic acid aryl alkyl ketone gamma amino acid or derivatives benzoyl fatty acid n-arylamide alkyl aryl ether carboxylic acid derivative medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid vinylogous amide carboxamide group amino fatty acid methoxybenzene butyrophenone aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives anisole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound alkyl-phenylketone

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