| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:21 UTC |
|---|
| Update Date | 2025-03-25 00:50:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183845 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18O11 |
|---|
| Molecular Mass | 410.0849 |
|---|
| SMILES | O=C1CC2C=COC2Oc2cc(OC3C(O)OC(C(=O)O)C(O)C3O)cc(O)c21 |
|---|
| InChI Key | STACVGUBJGAJJU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | glucuronic acid derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsdihydrofuranshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketonebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-dioldihydrofuranalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
|---|
