Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:55 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157804
Frequency0.5
Structure
Chemical FormulaC20H22O2
Molecular Mass294.162
SMILESO=C(O)CCCCC1CC(c2ccccc2)c2ccccc21
InChI KeyCNXODVYMQFWAFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • indane
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound