DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:18 UTC
Update Date	2025-03-25 00:45:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149493
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₂O₅
Molecular Mass	310.1529
SMILES	O=C(O)c1cc(O)ccc1N1CCN(CCOCCO)CC1
InChI Key	DJQOMPPTVGKGAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 1-hydroxy-2-unsubstituted benzenoids alcohols and polyols amino acids aminobenzoic acids and derivatives aniline and substituted anilines azacyclic compounds benzoic acids benzoyl derivatives dialkyl ethers dialkylarylamines hydrocarbon derivatives hydroxybenzoic acid derivatives monocarboxylic acids and derivatives n-alkylpiperazines n-arylpiperazines organic oxides organopnictogen compounds trialkylamines vinylogous amides p-aminophenols
Substituents	monocyclic benzene moiety ether carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative dialkyl ether organic oxide tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid dialkylarylamine aminobenzoic acid or derivatives tertiary amine alcohol vinylogous amide azacycle aniline or substituted anilines n-alkylpiperazine aminophenol tertiary aliphatic amine benzoic acid or derivatives phenylpiperazine hydroxybenzoic acid monocarboxylic acid or derivatives organic oxygen compound p-aminophenol phenol hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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