Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:43 UTC
Update Date2025-03-25 00:52:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195977
Frequency0.5
Structure
Chemical FormulaC10H16O3
Molecular Mass184.1099
SMILESCC1(C)CC=C(C(=O)O)C(C)(C)O1
InChI KeyDNRJELZZEDNULA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • dialkyl ether
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound