| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:17 UTC |
|---|
| Update Date | 2025-03-25 00:59:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236225 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21O4P |
|---|
| Molecular Mass | 272.1177 |
|---|
| SMILES | COP(=O)(O)Oc1c(C(C)C)cccc1C(C)C |
|---|
| InChI Key | UXXVZWUTTSFKQO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | cumenes |
|---|
| Direct Parent | cumenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanes |
|---|
| Substituents | phenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatecumenehydrocarbon derivativephenoxy compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|