DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:45 UTC
Update Date	2025-03-25 00:55:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02214645
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅NO₃
Molecular Mass	233.1052
SMILES	CC=C(C)C(=O)c1cc(OC)ccc1NC=O
InChI Key	RVNQJHHGAKGAKR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	anilides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha-branched alpha,beta-unsaturated ketones anisoles aryl ketones benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives methoxybenzenes n-arylamides organic oxides organopnictogen compounds phenoxy compounds phenylpropanes secondary carboxylic acid amides vinylogous amides
Substituents	phenol ether carbonyl group ether benzoyl n-arylamide alkyl aryl ether alpha,beta-unsaturated ketone carboxylic acid derivative ketone phenylpropane organic oxide organonitrogen compound organopnictogen compound alpha-branched alpha,beta-unsaturated-ketone vinylogous amide carboxamide group methoxybenzene aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound anisole hydrocarbon derivative organic nitrogen compound phenoxy compound organooxygen compound aryl ketone

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