Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:33 UTC
Update Date2025-03-25 00:49:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175168
Frequency0.5
Structure
Chemical FormulaC14H18O4
Molecular Mass250.1205
SMILESCCCCC=C1Oc2cc(O)cc(O)c2CC1O
InChI KeySIRKYXNNWLFRMM-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound