| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:54 UTC |
|---|
| Update Date | 2025-03-21 18:00:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026418 |
|---|
| Frequency | 144.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13O7P |
|---|
| Molecular Mass | 288.0399 |
|---|
| SMILES | O=C1CCC(Cc2cc(O)cc(OP(=O)(O)O)c2)O1 |
|---|
| InChI Key | QYKALLNWAOSSTF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic phosphoric acids and derivatives |
|---|
| Subclass | phosphate esters |
|---|
| Direct Parent | phenyl phosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidphenyl phosphategamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
