Hmdb loader

Showing information for DMID02225462

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:28 UTC
Update Date2025-03-25 00:57:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225462
Frequency0.5
Structure
Chemical FormulaC17H22O5
Molecular Mass306.1467
SMILESCC(=O)c1cc2c(cc1C)C(C)(C)OC(C)(CCC(=O)O)O2
InChI KeyQBGJWXZAESVYMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,3-dioxanes
Direct Parent benzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetophenones
  • aryl alkyl ketones
  • benzenoids
  • carboxylic acids
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • carboxylic acid derivative
  • benzo-1,3-dioxane
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • ketal
  • acetophenone
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone