| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:15 UTC |
|---|
| Update Date | 2025-03-21 17:56:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004453 |
|---|
| Frequency | 1260.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13NO3 |
|---|
| Molecular Mass | 183.0895 |
|---|
| SMILES | CNCC(O)c1cc(O)cc(O)c1 |
|---|
| InChI Key | OXWPYKMAKAZFRU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenediols |
|---|
| Direct Parent | resorcinols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary amineresorcinolaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
