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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:41 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155130
Frequency0.5
Structure
Chemical FormulaC11H14O4
Molecular Mass210.0892
SMILESCc1cc(O)c(C)c2c1CC(O)C(O)O2
InChI KeyFMMSBOKGOMPAFG-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
  • benzenoids
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound