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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:52 UTC
Update Date2025-03-21 18:34:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102667
Frequency26.5
Structure
Chemical FormulaC7H8NO6P
Molecular Mass233.0089
SMILESNc1c(O)cccc1C(=O)OP(=O)(O)O
InChI KeyMPMBRKVSMMYKIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acyl phosphates
  • amino acids and derivatives
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic phosphoric acids and derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • amino acid or derivatives
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • organooxygen compound
  • acyl phosphate