| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:44 UTC |
|---|
| Update Date | 2025-03-25 01:01:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251106 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11ClN2O3 |
|---|
| Molecular Mass | 254.0458 |
|---|
| SMILES | OCC(O)C(O)c1cnc2ccc(Cl)cc2n1 |
|---|
| InChI Key | FEERWBLEEPFWDV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazanaphthalenes |
|---|
| Subclass | benzodiazines |
|---|
| Direct Parent | quinoxalines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsaryl chloridesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrazinessecondary alcohols |
|---|
| Substituents | aromatic alcoholaryl chloridealcoholquinoxalineazacycleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundpyrazineorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholorganooxygen compound |
|---|
