Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:33 UTC
Update Date2025-03-21 18:40:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130775
Frequency19.4
Structure
Chemical FormulaC10H18O4
Molecular Mass202.1205
SMILESCC1(C(=O)O)CCCC(C(C)(C)O)O1
InChI KeyPFCGGQXMBYAZLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • tertiary alcohols
  • Substituents
  • c-glucuronide
  • alcohol
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound