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CHEBI:80777 - Gambieric acid A
| Formula | C59H92O16 |
| Net Charge | 0 |
| Average Mass | 1057.369 |
| Monoisotopic Mass | 1056.63854 |
| 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@@H]2O)C[C@@H](C)[C@@]([H])([C@@H](C)CC(=O)O)O1 |
| InChI | InChI=1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32-,34-,35+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45+,46+,47+,48+,49-,50-,52+,53-,54+,55-,56-,57-,58+,59-/m1/s1 |
| InChIKey | MSZMCMVREIGRAG-FKAXGPHESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gambieric acid A (CHEBI:80777) is a disaccharide (CHEBI:36233) |