Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:10 UTC
Update Date2025-03-25 00:46:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153914
Frequency0.5
Structure
Chemical FormulaC12H8O4
Molecular Mass216.0423
SMILESCOc1ccc2cc3ooc(=O)c3cc2c1
InChI KeyMBBNYJANQRYGJL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • phenol ether
  • ether
  • heteroaromatic compound
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound