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CHEBI:203010 - 19,21-Dibromooscillatoxin A

ChEBI IDCHEBI:203010
ChEBI Name19,21-Dibromooscillatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44Br2O10
Net Charge0
Average Mass736.491
Monoisotopic Mass734.13012
SMILESCO[C@@H](CC[C@H](C)C1O[C@@]23C[C@H](OC(=O)C[C@H](CO)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)c(Br)cc1Br
InChIInChI=1S/C31H44Br2O10/c1-16(7-8-24(39-6)20-10-23(35)22(33)11-21(20)32)28-18(3)25-13-31(42-28)29(4,5)12-17(2)30(38,43-31)14-27(37)40-19(15-34)9-26(36)41-25/h10-11,16-19,24-25,28,34-35,38H,7-9,12-15H2,1-6H3/t16-,17+,18-,19+,24-,25-,28?,30-,31-/m0/s1
InChIKeyDDGGYVOCCJLZJL-YJMWZKKWSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria (ncbitaxon:1158) - DOI (10.1021/jo00405a053)
ChEBI Ontology
Outgoing Relation(s)
19,21-Dibromooscillatoxin A (CHEBI:203010) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione