Hmdb loader

Showing information for DMID02228021

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:39 UTC
Update Date2025-03-25 00:57:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228021
Frequency0.5
Structure
Chemical FormulaC13H16O2
Molecular Mass204.115
SMILESC=C(C)C(=O)OC(C)Cc1ccccc1
InChI KeyNYNQGPOXFDPCPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • enoate ester
  • carbonyl group
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound