Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:27 UTC
Update Date2025-03-21 18:38:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121054
Frequency21.4
Structure
Chemical FormulaC17H24O5
Molecular Mass308.1624
SMILESCC1C(Oc2ccc(CCO)cc2)OC(C(=O)O)C(C)C1C
InChI KeyBDLUMJSIDBLOQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • pyran carboxylic acid
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • pyran
  • hydrocarbon derivative
  • tyrosol derivative
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound