| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:06 UTC |
|---|
| Update Date | 2025-03-25 00:57:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224667 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19NO4 |
|---|
| Molecular Mass | 253.1314 |
|---|
| SMILES | NCCc1cccc(C2OC(CO)C(O)C2O)c1 |
|---|
| InChI Key | IRUNZJATVHPFCD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | dialkyl ethershydrocarbon derivativesmonoalkylaminesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compoundtetrahydrofuranmonosaccharidedialkyl etheroxacyclesaccharideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholorganoheterocyclic compoundorganooxygen compound |
|---|
