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CHEBI:226618 - 4-hydroperoxyoscillatoxin B2

ChEBI IDCHEBI:226618
ChEBI Name4-hydroperoxyoscillatoxin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O11
Net Charge0
Average Mass606.709
Monoisotopic Mass606.30401
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@@](C)(OO)CC3(C)C)[C@@H]1C)c1cccc(O)c1
InChIInChI=1S/C32H46O11/c1-18(11-12-23(38-7)21-9-8-10-22(34)13-21)29-19(2)25-16-32(42-29)30(4,5)17-31(6,43-37)26(41-32)15-28(36)39-24(20(3)33)14-27(35)40-25/h8-10,13,15,18-20,23-25,29,33-34,37H,11-12,14,16-17H2,1-7H3/b26-15+/t18-,19-,20+,23-,24+,25-,29+,31-,32+/m0/s1
InChIKeyQZGGIZIUEKEAAS-RLUCYSILSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - DOI (10.1016/j.tet.2019.03.020)
ChEBI Ontology
Outgoing Relation(s)
4-hydroperoxyoscillatoxin B2 (CHEBI:226618) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,4S,5S,9R,12Z,14S)-14-hydroperoxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione
Manual XrefsDatabases
73930327ChemSpider