DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:24 UTC
Update Date	2025-03-21 18:38:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120930
Frequency	21.5
Structure
Chemical Formula	C₁₈H₂₇NO₁₁
Molecular Mass	433.1584
SMILES	NC(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)Cc1ccc(O)c(O)c1
InChI Key	HMBAUEFMERVIRK-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carbonyl hydrates carboxylic acid esters fatty acid esters hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carbonyl hydrate aromatic heteromonocyclic compound gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid monosaccharide saccharide organic oxide acetal organonitrogen compound organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives alcohol 1-hydroxy-4-unsubstituted benzenoid oxacycle fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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