Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:51:24 UTC |
---|
Update Date | 2025-03-25 00:50:34 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02181719 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C17H22O9 |
---|
Molecular Mass | 370.1264 |
---|
SMILES | O=C(O)C1(O)CC(O)C(OC(C=Cc2ccc(O)c(O)c2)CO)C(O)C1 |
---|
InChI Key | BDLFBEDHJGKIQL-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic oxygen compounds |
---|
Class | organooxygen compounds |
---|
Subclass | alcohols and polyols |
---|
Direct Parent | quinic acids and derivatives |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholstertiary alcohols |
---|
Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherorganic oxideprimary alcoholcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
---|