Annotation Hits
N
Screening or library annotations
Compound
alpha-Bungarotoxin
Synonyms
Alpha-Bungarotoxin
In
2 lists
NSID
NS00075396
SMILES
[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]2([H])C([H])([H])[C@]3([H])O[C@]4([H])\C([H])=C([H])/C([H])([H])[C@@]5(O[C@]6([H])C([H])([H])[C@]7([H])O[C@@]8([H])[C@@]([H])(O[C@]9([H])C([H])([H])[C@@]%10(O[C@]%11([H])C(=C([H])C(=O)O[C@@]%11([H])C([H])([H])[C@@]%10([H])O[C@@]9([H])C([H])([H])[C@@]8([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]7(O[C@@]6(C([H])([H])[H])C([H])([H])[C@@]5([H])O[C@@]4([H])C([H])([H])[C@@]3([H])O[C@@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=C([H])[H])C([H])=O
InChI
InChI=1/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/s2
InChIKey
LYTCVQQGCSNFJU-LKGYBJPKSA-N
CAS Number
11032-79-4
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).