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CHEBI:80770 - Brevetoxin B

ChEBI IDCHEBI:80770
ChEBI NameBrevetoxin B
Stars
DownloadsMolfile
FormulaC50H70O14
Net Charge0
Average Mass895.096
Monoisotopic Mass894.47656
SMILES[H][C@@]1(CC(=C)C=O)C[C@H](O)[C@]2(C)O[C@]3([H])C[C@]4([H])O[C@]5([H])C[C@]6(C)O[C@]7(C)CC[C@]8([H])O[C@]9([H])C[C@]%10(C)O[C@]%11([H])C(C)=CC(=O)O[C@@]%11([H])C[C@@]%10([H])O[C@@]9([H])C[C@@H](C)[C@@]8([H])O[C@@]7([H])C[C@@]6([H])O[C@@]5(C)C/C=C\[C@@]4([H])O[C@@]3([H])C[C@@]2([H])O1
InChIInChI=1S/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+/m1/s1
InChIKeyLYTCVQQGCSNFJU-FGRVLNGBSA-N
Roles Classification
Biological Role:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
ChEBI Ontology
Outgoing Relation(s)
Brevetoxin B (CHEBI:80770) is a ciguatoxin (CHEBI:61275)
Manual XrefsDatabases
C16857KEGG COMPOUND
Registry NumbersSources
CAS:79580-28-2KEGG COMPOUND