| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:22 UTC |
|---|
| Update Date | 2025-03-21 18:34:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098960 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22O11 |
|---|
| Molecular Mass | 354.1162 |
|---|
| SMILES | O=CC(O)C(O)C(OC1C(O)CC(O)(C(=O)O)CC1O)C(O)CO |
|---|
| InChI Key | CVIXBNOMQQPKPB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | tannins |
|---|
| Subclass | hydrolyzable tannins |
|---|
| Direct Parent | hydrolyzable tannins |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxyaldehydesbeta-hydroxy aldehydescarboxylic acidscyclohexanolsdialkyl ethersfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholsquinic acids and derivativestertiary alcohols |
|---|
| Substituents | fatty acylbeta-hydroxy aldehydecarbonyl groupethercarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxidealpha-hydroxyaldehydefatty alcoholprimary alcoholhydrolyzable tanninalcoholcyclohexanolaldehydecyclitol or derivativeshydroxy acidcyclic alcoholtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compoundquinic acid |
|---|
