| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:55 UTC |
|---|
| Update Date | 2025-03-25 00:47:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160025 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10ClN3O3 |
|---|
| Molecular Mass | 267.0411 |
|---|
| SMILES | O=c1[nH]cc(CNc2ccc(O)c(Cl)c2)c(=O)[nH]1 |
|---|
| InChI Key | FOTKFJFTOGJHBN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | halophenols |
|---|
| Direct Parent | halophenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativeslactamso-chlorophenolsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespyrimidonessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietylactamaromatic heteromonocyclic compoundorganochloride1-hydroxy-2-unsubstituted benzenoidpyrimidoneorganohalogen compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzenevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halide2-halophenolorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
