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CHEBI:226623 - 17-bromo-4,26-epoxyoscillatoxin B2

ChEBI IDCHEBI:226623
ChEBI Name17-bromo-4,26-epoxyoscillatoxin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43BrO10
Net Charge0
Average Mass667.590
Monoisotopic Mass666.20396
SMILESCO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)/C=C(/O2)[C@]2(CO2)CC3(C)C)[C@@H]1C)c1cc(O)ccc1Br
InChIInChI=1S/C32H43BrO10/c1-17(7-10-23(38-6)21-11-20(35)8-9-22(21)33)29-18(2)25-14-32(43-29)30(4,5)15-31(16-39-31)26(42-32)13-28(37)40-24(19(3)34)12-27(36)41-25/h8-9,11,13,17-19,23-25,29,34-35H,7,10,12,14-16H2,1-6H3/b26-13+/t17-,18-,19+,23-,24+,25-,29+,31+,32+/m0/s1
InChIKeyRQKZPFQUSWEPOP-ASRJDVGZSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - DOI (10.1016/j.tet.2019.03.020)
ChEBI Ontology
Outgoing Relation(s)
17-bromo-4,26-epoxyoscillatoxin B2 (CHEBI:226623) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,4S,5S,9R,12Z,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-9-[(1R)-1-hydroxyethyl]-4,16,16-trimethylspiro[2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-14,2'-oxirane]-7,11-dione
Manual XrefsDatabases
73930328ChemSpider