DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:05 UTC
Update Date	2025-03-25 00:59:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235812
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₆
Molecular Mass	322.1165
SMILES	COc1ccc(NC=O)c(C(=O)CCC(NC(C)=O)C(=O)O)c1
InChI Key	URHHJJHRNQURNN-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alkyl-phenylketones alpha amino acids amino fatty acids anilides anisoles aryl alkyl ketones benzoyl derivatives butyrophenones carbocyclic fatty acids carboxylic acids hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives methoxybenzenes monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds phenoxy compounds phenylbutylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone benzoyl fatty acid n-arylamide alkyl aryl ether medium-chain hydroxy acid ketone organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid acetamide vinylogous amide n-acyl-alpha-amino acid carboxamide group amino fatty acid methoxybenzene phenylketone butyrophenone aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound alkyl-phenylketone organooxygen compound aryl ketone

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