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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:57 UTC
Update Date2025-03-21 18:39:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126914
Frequency20.1
Structure
Chemical FormulaC14H18O3
Molecular Mass234.1256
SMILESCC(=O)C1(C)CCc2cc(O)c(C)c(C)c2O1
InChI KeyTZJJWZQOPWKPAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound