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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:16 UTC
Update Date2025-03-25 00:54:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208747
Frequency0.5
Structure
Chemical FormulaC19H20O5
Molecular Mass328.1311
SMILESCC(C(=O)O)c1ccc(C2Oc3cc(O)cc(O)c3CC2C)cc1
InChI KeyOMBSCCIJKLRKSB-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
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • bicyclic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • flavans
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenylpropanoic acids
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • p-cymene
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • 2-phenylpropanoic-acid
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • hydrocarbon derivative
  • bicyclic monoterpenoid
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid