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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:38 UTC
Update Date2025-03-21 18:36:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111873
Frequency23.8
Structure
Chemical FormulaC22H26O6
Molecular Mass386.1729
SMILESCOc1cc(CC2COC(=O)C(C)C2Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyMRLWJSAHQMGBRF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass terpene lactones
Direct Parent terpene lactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aromatic monoterpenoids
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • iridoids and derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
    • Substituents
  • monoterpenoid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • ether
  • aromatic heteromonocyclic compound
  • delta valerolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • terpene lactone
  • organic oxide
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • secoiridoid-skeleton
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aromatic monoterpenoid