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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ether > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b1
... > organooxygen compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b1

Preferred term

brevetoxin b1  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C52H75NO17S

inchi

  • InChI=1S/C52H75NO17S/c1-26-17-32-37(24-50(6)39(63-32)22-36-46(69-50)27(2)18-44(55)65-36)62-31-11-13-49(5)40(66-45(26)31)23-41-51(7,70-49)25-43-48(4,68-41)12-9-10-30-33(64-43)20-35-34(61-30)21-42-52(8,67-35)38(54)19-29(60-42)16-28(3)47(56)53-14-15-71(57,58)59/h9-10,18,26,29-43,45-46,54H,3,11-17,19-25H2,1-2,4-8H3,(H,53,56)(H,57,58,59)/b10-9-/t26-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,41-,42-,43-,45-,46-,48+,49-,50+,51+,52+/m1/s1

inchikey

  • LUNOZQKEODBLAF-BTMAFXPRSA-N

mass

  • 1018.216

monoisotopicmass

  • 1017.47557

smiles

  • [C@]12([C@](C[C@H]([C@@]3([C@](CC[C@]4(O[C@]5(C[C@]6(O[C@@]7([C@@](C=CC[C@@]6(O[C@@]5(C[C@@]4(O3)[H])[H])C)(O[C@@]8([C@@](C7)(O[C@@]9([C@@](C8)(O[C@@](C[C@@H]9O)(CC(C(NCCS(O)(=O)=O)=O)=C)[H])[H])C)[H])[H])[H])[H])[H])C)C)(O1)[H])[H])C)(O[C@]%10([C@](C2)(O[C@]%11([C@](C%10)(OC(C=C%11C)=O)[H])[H])C)[H])[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138845

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