Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:27 UTC
Update Date2025-03-25 00:54:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204571
Frequency0.5
Structure
Chemical FormulaC9H11O6P
Molecular Mass246.0293
SMILESO=P(O)(O)OC1COc2ccc(O)cc2C1
InChI KeyQBSKBEVYRQXHGT-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
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • aromatic heteropolycyclic compound
  • monoalkyl phosphate
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound