DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:52 UTC
Update Date	2025-03-21 18:04:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050212
Frequency	65.5
Structure
Chemical Formula	C₁₉H₂₆N₂O₇
Molecular Mass	394.174
SMILES	CC(=O)N1CCN(c2ccc(OCC3CC(O)C(O)C(C(=O)O)O3)cc2)CC1
InChI Key	GXQGNOCWVMPVJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides alkyl aryl ethers amino acids aminophenyl ethers aniline and substituted anilines azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dialkylarylamines hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-arylpiperazines organic oxides organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid amino acid or derivatives monosaccharide pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organonitrogen compound oxane aminophenyl ether acetamide 1,2-diol alcohol azacycle phenylpiperazine hydrocarbon derivative phenoxy compound amine carbonyl group ether aromatic heteromonocyclic compound amino acid alkyl aryl ether carboxylic acid derivative organic oxide tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organopnictogen compound dialkylarylamine tertiary amine pyran carboxylic acid or derivatives aniline or substituted anilines hydroxy acid carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound n-arylpiperazine organooxygen compound

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