| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:21 UTC |
|---|
| Update Date | 2025-03-25 00:51:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186133 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26O12 |
|---|
| Molecular Mass | 434.1424 |
|---|
| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC(=O)C(O)C(O)C(O)C(O)CO |
|---|
| InChI Key | VDHKCJLUBZILAC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty alcohols |
|---|
| Direct Parent | fatty alcohols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacylalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
|---|
| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeacylalbeta-hydroxy acidsaccharideorganic oxideacetalfatty alcoholprimary alcoholalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
