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CHEBI:80779 - Gambieric acid C

ChEBI IDCHEBI:80779
ChEBI NameGambieric acid C
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DownloadsMolfile
FormulaC65H100O19
Net Charge0
Average Mass1185.496
Monoisotopic Mass1184.68588
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)COC(=O)C[C@@H](C)CC(=O)O)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
InChIInChI=1S/C65H100O19/c1-33(19-35(3)31-74-57(72)22-34(2)21-55(68)69)20-46-37(5)24-52-62(8,83-46)30-50-60(80-52)61(73)65(11)54(78-50)29-49-59(84-65)36(4)13-12-14-44-43(76-49)17-18-51-63(9,81-44)32-64(10)53(79-51)28-48-45(82-64)16-15-42(67)47(77-48)27-40(66)26-41-23-38(6)58(75-41)39(7)25-56(70)71/h12-13,19,34-36,38-54,58-61,66-67,73H,5,14-18,20-32H2,1-4,6-11H3,(H,68,69)(H,70,71)/b13-12-,33-19+/t34-,35+,36+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52-,53+,54+,58-,59+,60-,61+,62+,63+,64-,65+/m0/s1
InChIKeyPAZSGUQEBJPONR-NMYRWGSKSA-N
ChEBI Ontology
Outgoing Relation(s)
Gambieric acid C (CHEBI:80779) is a disaccharide (CHEBI:36233)
Manual XrefsDatabases
C16887KEGG COMPOUND