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CHEBI:80718 - Oscillatoxin A

ChEBI IDCHEBI:80718
ChEBI NameOscillatoxin A
Stars
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILES[H][C@]1(CO)CC(=O)OC2C[C@]3(O[C@]([H])([C@@H](C)CC[C@H](OC)c4cccc(O)c4)[C@H]2C)O[C@@](O)(CC(=O)O1)[C@H](C)CC3(C)C
InChIInChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28+,30-,31-/m0/s1
InChIKeyGKTXURNRIDXUNG-IYYTYHDMSA-N
ChEBI Ontology
Outgoing Relation(s)
Oscillatoxin A (CHEBI:80718) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C16771KEGG COMPOUND
Registry NumbersSources
CAS:66671-95-2KEGG COMPOUND