Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:21 UTC
Update Date2025-03-25 00:58:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231791
Frequency0.5
Structure
Chemical FormulaC10H16O3
Molecular Mass184.1099
SMILESCC1=C(C(=O)O)CC(C)(C)CC1O
InChI KeyDIGKFULKMPRIHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • carboxylic acid derivative