| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:37 UTC |
|---|
| Update Date | 2025-03-25 01:00:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241519 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O6 |
|---|
| Molecular Mass | 284.126 |
|---|
| SMILES | CC(CO)Cc1ccc(C(O)C(O)C(O)C(=O)O)cc1 |
|---|
| InChI Key | LYBJWJBQECJIHH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidehydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundbeta-hydroxy acidsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
