Annotation Hits
N
Screening or library annotations
Compound
Gambieric acid B
NSID
NS00075596
SMILES
[H][C@]1(O[C@@H](C[C@@H](O)C[C@@H]2O[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]1C)[C@@H](C)CC(O)=O
InChI
InChI=1/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+/s2
InChIKey
PLNXKBYHTXJJIY-ZAXYGDKESA-N
CAS Number
141363-65-7
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).