| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:41 UTC |
|---|
| Update Date | 2025-03-21 18:03:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047402 |
|---|
| Frequency | 70.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O8 |
|---|
| Molecular Mass | 368.1471 |
|---|
| SMILES | O=C(CCC(O)Cc1ccccc1)OC1C(O)CC(O)(C(=O)O)CC1O |
|---|
| InChI Key | FILUANUPRGLLLB-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidquinic acid |
|---|
