Hmdb loader

Showing information for DMID02170938

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:43 UTC
Update Date2025-03-25 00:48:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170938
Frequency0.5
Structure
Chemical FormulaC17H25NO8
Molecular Mass371.158
SMILESCNCC(O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2C)c(OC)c1
InChI KeyARNWRUHWLHNPEM-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
  • acetals
  • alkyl aryl ethers
  • amino acids
  • anisoles
  • aromatic alcohols
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • alcohol
  • secondary aliphatic amine
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • secondary amine
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine