| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:18 UTC |
|---|
| Update Date | 2025-03-25 00:46:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154228 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H31ClN6O2 |
|---|
| Molecular Mass | 446.2197 |
|---|
| SMILES | COc1cc(CNCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)ccc1O |
|---|
| InChI Key | DAKKMJRDQIONQS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | guanidines |
|---|
| Direct Parent | 1-arylbiguanides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl chloridescarboximidamideschlorobenzenesdialkylamineshydrocarbon derivativesiminesmethoxybenzenesmethoxyphenolsorganochloridesorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetherimineorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compoundorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenesecondary aliphatic aminecarboximidamidesecondary aminemethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compoundamine |
|---|
