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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:57 UTC
Update Date2025-03-25 00:55:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215082
Frequency0.5
Structure
Chemical FormulaC20H25NO6
Molecular Mass375.1682
SMILESCC1C(Oc2ccc3c(CCC(=O)O)c[nH]c3c2)OC(C(=O)O)C(C)C1C
InChI KeyCOBDHCCJJSTAAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyran carboxylic acids
  • pyrroles
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • indole
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • pyran
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound