| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:50 UTC |
|---|
| Update Date | 2025-03-21 18:06:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00064138 |
|---|
| Frequency | 48.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H15NO4 |
|---|
| Molecular Mass | 213.1001 |
|---|
| SMILES | NCC(O)C(O)Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | WNBHCLTTZMDZDH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | alcohol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound1,2-diol |
|---|
