| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:14 UTC |
|---|
| Update Date | 2025-03-21 18:07:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069889 |
|---|
| Frequency | 43.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO3 |
|---|
| Molecular Mass | 195.0895 |
|---|
| SMILES | CNCC(O)c1ccc2c(c1)OCO2 |
|---|
| InChI Key | HRSMJYYVSRYWBF-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 alcoholsbenzenoidsdialkylamineshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholsecondary aliphatic aminesecondary amineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminebenzodioxole |
|---|
