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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:05 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105613
Frequency25.6
Structure
Chemical FormulaC12H15NO7
Molecular Mass285.0849
SMILESNC1C(Oc2ccccc2O)OC(C(=O)O)C(O)C1O
InChI KeyQSNTVOPYNKCUIH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • pyran carboxylic acid
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • delta amino acid or derivatives
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound