| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:08 UTC |
|---|
| Update Date | 2025-03-21 18:37:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115501 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO3 |
|---|
| Molecular Mass | 181.0739 |
|---|
| SMILES | NCC(O)c1ccc2c(c1)OCO2 |
|---|
| InChI Key | NFDJYUZZSPJWLV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaromatic alcoholsbenzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundbenzodioxole |
|---|
