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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:55 UTC
Update Date2025-03-25 00:50:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180625
Frequency0.5
Structure
Chemical FormulaC25H32O5
Molecular Mass412.225
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CC(O)Cc1ccc(C(C)C(=O)O)cc1)O2
InChI KeyUDINTHGXGRFGGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • bicyclic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • p-cymene
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • 2-phenylpropanoic-acid
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid