Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:29 UTC
Update Date2025-03-25 00:54:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209279
Frequency0.5
Structure
Chemical FormulaC10H16O5
Molecular Mass216.0998
SMILESCC1(C)OC2CCC(O)(C(=O)O)CC2O1
InChI KeyPFVCFOVZEXQPGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • hydroxy acid
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • hydrocarbon derivative
  • organoheterocyclic compound