EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:80778 - Gambieric acid B
| Formula | C60H94O16 |
| Net Charge | 0 |
| Average Mass | 1071.396 |
| Monoisotopic Mass | 1070.65419 |
| SMILES | [H][C@@]1(C[C@@H](O)C[C@@]2([H])O[C@@]3([H])C[C@@]4([H])O[C@@]5([H])CC[C@@]6([H])O[C@@]7([H])C[C@@]8([H])O[C@@]9([H])C[C@@]%10(C)O[C@@]([H])(C/C(C)=C/[C@@H](C)CO)C(=C)C[C@]%10([H])O[C@]9([H])[C@@H](O)[C@]8(C)O[C@]7([H])[C@H](C)/C=C\C[C@]6([H])O[C@]5(C)C[C@]4(C)O[C@]3([H])CC[C@]2(C)O)C[C@@H](C)[C@@]([H])([C@@H](C)CC(=O)O)O1 |
| InChI | InChI=1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33-,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45+,46+,47-,48+,49-,50-,52+,53-,54+,55-,56+,57-,58-,59+,60-/m1/s1 |
| InChIKey | PLNXKBYHTXJJIY-ISIUNFMJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gambieric acid B (CHEBI:80778) is a disaccharide (CHEBI:36233) |