Annotation Hits
N
Screening or library annotations
Compound
Gambieric acid A
NSID
NS00075606
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@@H]2O)C[C@@H]1C)[C@@H](C)CC(O)=O
InChI
InChI=1/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+/s2
InChIKey
MSZMCMVREIGRAG-PXDMALBISA-N
CAS Number
138434-64-7
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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Patent stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).