Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:27 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181823
Frequency0.5
Structure
Chemical FormulaC10H8O7
Molecular Mass240.027
SMILESO=C(O)C(=O)Cc1ccc(O)c(C(=O)O)c1O
InChI KeySNJBVXNMKJEBLQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpyruvic acid derivatives
Direct Parent phenylpyruvic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • benzoic acids
  • benzoyl derivatives
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenylpropanoic acids
  • resorcinols
  • salicylic acids
  • vinylogous acids
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • resorcinol
  • ketone
  • organic oxide
  • alpha-keto acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • phenylpyruvate
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • keto acid
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organooxygen compound