| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:12 UTC |
|---|
| Update Date | 2025-03-25 00:53:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201705 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17O6P |
|---|
| Molecular Mass | 288.0763 |
|---|
| SMILES | Cc1ccc(C2CC(O)C(COP(=O)(O)O)O2)cc1 |
|---|
| InChI Key | KWSLRHXJFQOMJU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | dialkyl ethershydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholetheraromatic heteromonocyclic compoundtetrahydrofuranmonosaccharidedialkyl etheroxacyclesaccharideorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativetolueneorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
|---|
