Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:29 UTC
Update Date2025-03-25 00:52:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193192
Frequency0.5
Structure
Chemical FormulaC25H32O5
Molecular Mass412.225
SMILESCCCCCC1c2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3
InChI KeyZTUWCLASGVMSAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxoles
Subclass benzodioxoles
Direct Parent benzodioxoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • indanes
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • benzodioxole