Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:30 UTC
Update Date2025-03-21 17:57:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009652
Frequency497.0
Structure
Chemical FormulaC8H10O3
Molecular Mass154.063
SMILESCCOC(=O)c1ccc(C)o1
InChI KeyCDQUPTICIPKERO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurans
Subclass furoic acid and derivatives
Direct Parent furoic acid esters
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound
  • furoic acid ester