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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:25 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204486
Frequency0.5
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESO=CCC1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChI KeyDOULNGULEXYGQX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 5-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • alpha-hydrogen aldehydes
  • benzene and substituted derivatives
  • flavans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • aldehyde
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound