DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:05 UTC
Update Date	2025-03-25 00:59:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235805
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₅
Molecular Mass	308.1372
SMILES	COc1ccc(NC(C)=O)c(C(CCNC(C)=O)C(=O)O)c1
InChI Key	WYCMQFPTLWPMBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides acetanilides alkyl aryl ethers anisoles carbonyl compounds carboxylic acids hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid n-acetylarylamine gamma amino acid or derivatives n-arylamide alkyl aryl ether organic oxide organonitrogen compound organopnictogen compound acetamide acetanilide carboxamide group methoxybenzene aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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