EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:80938 - Isocaespitol
| Formula | C15H25Br2ClO2 |
| Net Charge | 0 |
| Average Mass | 432.624 |
| Monoisotopic Mass | 429.99098 |
| SMILES | [H][C@]1([C@@]2(C)OC(C)(C)[C@H](Br)C[C@H]2O)CC[C@@](C)(Br)[C@H](Cl)C1 |
| InChI | InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1 |
| InChIKey | OVZBIWJSECOXAT-RWBGOSSDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isocaespitol (CHEBI:80938) is a oxanes (CHEBI:46942) |