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	DMID02153359
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₇N₃O₄
Molecular Mass	337.2002
SMILES	COc1ccc(NC(=O)CN2CCN(CCOCCO)CC2)cc1
InChI Key	IWBVOXVJPNWXJM-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	alpha amino acid amides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alcohols and polyols alkyl aryl ethers alpha amino acids anilides anisoles azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl ethers hydrocarbon derivatives methoxybenzenes n-alkylpiperazines n-arylamides n-piperazineacetamides organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides trialkylamines
Substituents	n-piperazineacetamide phenol ether monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound n-arylamide alkyl aryl ether dialkyl ether organic oxide piperazine organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine organoheterocyclic compound alcohol alpha-amino acid amide azacycle n-alkylpiperazine tertiary aliphatic amine carboxamide group methoxybenzene anilide secondary carboxylic acid amide organic oxygen compound anisole 1,4-diazinane hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organooxygen compound

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