EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:47183 - 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE
| Formula | C16H14BrN3O |
| Net Charge | 0 |
| Average Mass | 344.212 |
| Monoisotopic Mass | 343.03202 |
| SMILES | [H]c1c(Br)c([O-])c(-c2c([H])c3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c([H])c1C([H])([H])[H] |
| InChI | InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19) |
| InChIKey | BVTBOJXEAPSOEB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE (CHEBI:47183) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE | PDBeChem |
| 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-bromo-4-methylphenolate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 907 | PDBeChem |