| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:16 UTC |
|---|
| Update Date | 2025-03-25 00:55:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213545 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12NO4- |
|---|
| Molecular Mass | 198.0772 |
|---|
| SMILES | CNCC(O)c1ccc(O)c(O[O-])c1 |
|---|
| InChI Key | KYSVKQFNOCTFLJ-UHFFFAOYSA-M |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenoxy compounds |
|---|
| Direct Parent | phenoxy compounds |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesorganic anionsorganic peroxidesorganic superoxidesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholsecondary aliphatic amine1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic superoxideorganic oxideorganic anionorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganic peroxidephenoxy compoundorganooxygen compoundamine |
|---|
