CHEBI:211162 - Oscillatoxin F

ChEBI IDCHEBI:211162
ChEBI NameOscillatoxin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCO[C@@H](CC[C@H](C)[C@H]1O[C@@]2(C=C[C@@H]1C)CC(=O)[C@H](C)CC2(C)C)c1cccc(O)c1
InChIInChI=1S/C26H38O4/c1-17(10-11-23(29-6)20-8-7-9-21(27)14-20)24-18(2)12-13-26(30-24)16-22(28)19(3)15-25(26,4)5/h7-9,12-14,17-19,23-24,27H,10-11,15-16H2,1-6H3/t17-,18-,19+,23-,24+,26-/m0/s1
InChIKeyWNIXOWWYRPQPKS-GTFPVTLOSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1039/c9ra00965e)
Moorena producens (ncbitaxon:1155739) - DOI (10.1016/j.tet.2019.03.020)
ChEBI Ontology
Outgoing Relation(s)
Oscillatoxin F (CHEBI:211162) is a benzyl ether (CHEBI:59859)
IUPAC Names 
(2R,3S,6R,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-1-oxaspiro[5.5]undec-4-en-8-one
[(2R,3R)-2-methyl-5-oxooxolan-3-yl] 2-[(6S,8R,9S,10S)-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
Manual XrefsDatabases
71360622ChemSpider
73930330ChemSpider