EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:221570 - Boletopsin 14
| Formula | C22H12Br4O9 |
| Net Charge | 0 |
| Average Mass | 739.945 |
| Monoisotopic Mass | 735.72148 |
| SMILES | CC(=O)Oc1c(-c2cc(Br)c(O)c(Br)c2)c(O)c2oc3c(Br)c(O)c(O)c(Br)c3c2c1OC(C)=O |
| InChI | InChI=1S/C22H12Br4O9/c1-5(27)33-21-10(7-3-8(23)15(29)9(24)4-7)16(30)20-12(22(21)34-6(2)28)11-13(25)17(31)18(32)14(26)19(11)35-20/h3-4,29-32H,1-2H3 |
| InChIKey | WPMSTGVYXCJMEV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Boletopsisspecies (ncbitaxon:2012190) | - | PubMed (26207999) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Boletopsin 14 (CHEBI:221570) is a dibenzofurans (CHEBI:38922) |
| Boletopsin 14 (CHEBI:221570) is a organobromine compound (CHEBI:37141) |
| IUPAC Name |
|---|
| [1-acetyloxy-6,9-dibromo-3-(3,5-dibromo-4-hydroxyphenyl)-4,7,8-trihydroxydibenzouran-2-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 78435480 | ChemSpider |