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CHEBI:221618 - Oscillatoxin I

ChEBI IDCHEBI:221618
ChEBI NameOscillatoxin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43BrO8
Net Charge0
Average Mass635.592
Monoisotopic Mass634.21413
SMILESCO[C@@H](CC[C@H](C)[C@@H](O)[C@@H](C)/C=C/C1=C(C(=O)O[C@@H]2CC(=O)O[C@@H]2C)C(=O)[C@H](C)CC1(C)C)c1cc(O)ccc1Br
InChIInChI=1S/C32H43BrO8/c1-17(29(36)18(2)9-13-25(39-7)22-14-21(34)10-12-24(22)33)8-11-23-28(30(37)19(3)16-32(23,5)6)31(38)41-26-15-27(35)40-20(26)4/h8,10-12,14,17-20,25-26,29,34,36H,9,13,15-16H2,1-7H3/b11-8+/t17-,18-,19+,20+,25-,26+,29-/m0/s1
InChIKeyQKLWRXPNVSGLOD-BZILHIHASA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (31234410)
ChEBI Ontology
Outgoing Relation(s)
Oscillatoxin I (CHEBI:221618) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(2R,3R)-2-methyl-5-oxooxolan-3-yl] (5R)-2-[(E,3S,4R,5S,8S)-8-(2-bromo-5-hydroxyphenyl)-4-hydroxy-8-methoxy-3,5-dimethyloct-1-enyl]-3,3,5-trimethyl-6-oxocyclohexene-1-carboxylate
Manual XrefsDatabases
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