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CHEBI:221614 - Oscillatoxin H

ChEBI IDCHEBI:221614
ChEBI NameOscillatoxin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47BrO9
Net Charge0
Average Mass667.634
Monoisotopic Mass666.24035
SMILESCO[C@@H](CC[C@H](C)[C@@H]1O[C@]2(C[C@@H](OC)[C@@H]1C)OC(CC(=O)O[C@@H]1CC(=O)O[C@@H]1C)=C(C)CC2(C)C)c1cc(O)ccc1Br
InChIInChI=1S/C33H47BrO9/c1-18(9-12-25(38-7)23-13-22(35)10-11-24(23)34)31-20(3)28(39-8)17-33(43-31)32(5,6)16-19(2)26(42-33)14-30(37)41-27-15-29(36)40-21(27)4/h10-11,13,18,20-21,25,27-28,31,35H,9,12,14-17H2,1-8H3/t18-,20-,21+,25-,27+,28+,31-,33-/m0/s1
InChIKeyOOIYWHWKLPEPEA-RAVVNMGDSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (31234410)
ChEBI Ontology
Outgoing Relation(s)
Oscillatoxin H (CHEBI:221614) is a benzyl ether (CHEBI:59859)
IUPAC Name 
[(2R,3R)-2-methyl-5-oxooxolan-3-yl] 2-[(6R,8S,9S,10R)-8-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-10-methoxy-3,5,5,9-tetramethyl-1,7-dioxaspiro[5.5]undec-2-en-2-yl]acetate