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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:44 UTC
Update Date2025-03-25 00:58:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228204
Frequency0.5
Structure
Chemical FormulaC21H28O4
Molecular Mass344.1988
SMILESC=CC1(C)CCC(C(C)(C)COC(=O)C=Cc2ccc(OC)cc2)O1
InChI KeyJFLVCSRFWMUZJY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • dialkyl ethers
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • dialkyl ether
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • organoheterocyclic compound
  • enoate ester
  • tetrahydrofuran
  • methoxybenzene
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound