DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:23 UTC
Update Date	2025-03-25 00:51:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186224
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁NO₆
Molecular Mass	311.1369
SMILES	NCCCC(=O)OC(=O)CCC(O)Cc1ccc(O)c(O)c1
InChI Key	DXBUVITUYNVERP-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids benzene and substituted derivatives carbonyl compounds carboxylic acid anhydrides dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols
Substituents	alcohol monocyclic benzene moiety carbonyl group gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound organic oxide organic oxygen compound organonitrogen compound carboxylic acid anhydride secondary alcohol dicarboxylic acid or derivatives organopnictogen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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