| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:06 UTC |
|---|
| Update Date | 2025-03-21 18:34:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100756 |
|---|
| Frequency | 27.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O7 |
|---|
| Molecular Mass | 258.074 |
|---|
| SMILES | OCC1OOC(c2ccc(O)c(O)c2)C(O)C1O |
|---|
| InChI Key | PKKDVGOBRXTSOS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-dioxanes1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkyl peroxideshydrocarbon derivativesoxacyclic compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compounddialkyl peroxidesecondary alcoholhydrocarbon derivativeprimary alcoholortho-dioxaneorganoheterocyclic compoundorganooxygen compound |
|---|
