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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:10 UTC
Update Date2025-03-25 01:01:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249768
Frequency0.5
Structure
Chemical FormulaC18H26O4
Molecular Mass306.1831
SMILESCc1cc(O)c(C(C)(C)C)c2c1OC(C)(CCC(=O)O)CC2
InChI KeyIWHYHBSHAWHORJ-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound