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CHEBI:80780 - Gambieric acid D

ChEBI IDCHEBI:80780
ChEBI NameGambieric acid D
Stars
DownloadsMolfile
FormulaC66H102O19
Net Charge0
Average Mass1199.523
Monoisotopic Mass1198.70153
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@]2(C)O)C[C@@H](C)[C@@]([H])([C@@H](C)CC(=O)O)O1
InChIInChI=1S/C66H102O19/c1-34(20-36(3)32-75-57(72)23-35(2)22-55(68)69)21-46-38(5)25-52-63(9,84-46)31-49-60(81-52)61(73)66(12)54(79-49)30-48-59(85-66)37(4)14-13-15-44-43(77-48)16-17-50-64(10,82-44)33-65(11)53(80-50)29-47-45(83-65)18-19-62(8,74)51(78-47)28-41(67)27-42-24-39(6)58(76-42)40(7)26-56(70)71/h13-14,20,35-37,39-54,58-61,67,73-74H,5,15-19,21-33H2,1-4,6-12H3,(H,68,69)(H,70,71)/b14-13-,34-20+/t35-,36+,37+,39+,40-,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51+,52-,53+,54+,58-,59+,60-,61+,62-,63+,64+,65-,66+/m0/s1
InChIKeyFJLHAPWPXWDEEV-UWTITCBOSA-N
ChEBI Ontology
Outgoing Relation(s)
Gambieric acid D (CHEBI:80780) is a disaccharide (CHEBI:36233)
Manual XrefsDatabases
C16888KEGG COMPOUND