| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:39 UTC |
|---|
| Update Date | 2025-03-25 00:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155027 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO7P2 |
|---|
| Molecular Mass | 297.0167 |
|---|
| SMILES | Cc1ccc(CCOP(=O)(O)OP(=O)(O)O)cn1 |
|---|
| InChI Key | KZLHYPZPSVAUHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organic oxoanionic compounds |
|---|
| Subclass | organic pyrophosphates |
|---|
| Direct Parent | organic pyrophosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic pyrophosphateorganic oxidepyridinephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
|---|
