Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:39 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150299
Frequency0.5
Structure
Chemical FormulaC10H8O3
Molecular Mass176.0473
SMILESO=c1oc2cc3c(cc2o1)CCC3
InChI KeyHWAAQNUMMPJNKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • carbonic acid diesters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • carbonic acid derivative
  • heteroaromatic compound
  • carbonic acid diester
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • indane
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound