IPHAB Toxins

No progenitors registered

No vector species registered

Structure
Formula: C55H82O21S2
Exact mono-isotopic mass: 1142.47895
Molfile: n/a
Alternative molfiles: n/a
SMILES: C[C@]1(CCOS(=O)(O)=O)O[C@@]2([H])C[C@@]3([H])O[C@@]4([H])C[C@@]5([H])O[C@]6([H])[C@](CC[C@]5([H])O[C@]4([H])C[C@]3([H])O[C@]2([H])C[C@@H]1OS(=O)(O)=O)(C)O[C@](CC[C@H](C)[C@](O[C@]([C@@H](O)[C@](O[C@](CC7=C)([H])[C@@](O[C@]7([H])[C@@](O)(C)/C=C/C(CC=C)=C)([H])C8)(C)[C@@]8([H])O9)([H])[C@@]9([H])C%10)([H])[C@@]%10([H])O%11)(C)[C@@]%11([H])C6
Alternative SMILES: n/a
InChi key: HCYDZFJGUKMTQB-AVHIVUAZSA-N
Alternative InChi keys: n/a
InChi: InChI=1S/C55H82O21S2/c1-10-11-28(2)12-15-51(5,57)50-30(4)20-39-38(71-50)26-46-55(9,74-39)49(56)48-42(70-46)24-41-47(72-48)29(3)13-16-53(7)44(69-41)27-43-54(8,76-53)17-14-31-32(68-43)21-34-33(65-31)22-35-36(66-34)23-40-37(67-35)25-45(75-78(61,62)63)52(6,73-40)18-19-64-77(58,59)60/h10,12,15,29,31-50,56-57H,1-2,4,11,13-14,16-27H2,3,5-9H3,(H,58,59,60)(H,61,62,63)/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1
Alternative InChis
Spectra available: Unknown
Chem files

Certified

Unknown

Certified links

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Non certified reference material

Unknown

Yessotoxin