Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:47 UTC
Update Date2025-03-25 00:48:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166576
Frequency0.5
Structure
Chemical FormulaC11H10O4
Molecular Mass206.0579
SMILESCC(=O)OC1C(=O)COc2ccccc21
InChI KeyJOIXPEMRTLLMQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha-acyloxy ketones
  • benzenoids
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • alpha-acyloxy ketone
  • 1-benzopyran
  • cyclic ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound