Annotation Hits
N
Screening or library annotations
Compound
Gonyautoxin
NSID
NS00099539
SMILES
[H]N([H])C1=N[C@@]23N(C[C@H](OS(O)(=O)=O)C2(O)O)C(=N[C@@H](COC(=O)N([H])S(O)(=O)=O)[C@]3([H])N1[H])N([H])[H];C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2NC(=N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O
InChI
InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)
InChIKey
OKSSKVHGKYJNLL-UHFFFAOYSA-N
CAS Number
80226-62-6
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).