Hmdb loader

Showing information for DMID00068160

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:31 UTC
Update Date2025-03-21 18:07:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068160
Frequency44.5
Structure
Chemical FormulaC16H14O7
Molecular Mass318.074
SMILESO=C(O)c1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
InChI KeyYYGVCWDMPYGUNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • carboxylic acids
  • flavan-3-ols
  • hydrocarbon derivatives
  • hydroxybenzoic acid derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • hydroxybenzoic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound