Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:36 UTC
Update Date2025-03-25 00:52:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191227
Frequency0.5
Structure
Chemical FormulaC19H23NO10
Molecular Mass425.1322
SMILESCC(=O)NC1C(O)CC(Oc2cc(CC3CCC(=O)O3)cc(O)c2O)OC1C(=O)O
InChI KeyNQSAANVDIWKIKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • acetamides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • acetamide
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • gamma butyrolactone
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound