Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:24 UTC
Update Date2025-03-25 00:54:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209068
Frequency0.5
Structure
Chemical FormulaC13H14O4
Molecular Mass234.0892
SMILESCC(C)C(=O)OC1COc2ccccc2C1=O
InChI KeyLVGUVPNPZMTTNM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent chromones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha-acyloxy ketones
  • aryl alkyl ketones
  • benzenoids
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • aryl alkyl ketone
  • alpha-acyloxy ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • chromone
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aryl ketone