| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:59 UTC |
|---|
| Update Date | 2025-03-25 00:57:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224417 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O9 |
|---|
| Molecular Mass | 300.0481 |
|---|
| SMILES | O=C(O)C1C(=O)OC(Oc2c(O)cccc2O)C(O)C1O |
|---|
| InChI Key | BXZNSMHIAKNVRP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenediols |
|---|
| Direct Parent | resorcinols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinollactonebeta-hydroxy acidsaccharideorganic oxideacetaloxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundphenoxy compoundorganooxygen compound |
|---|
