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CHEBI:224654 - Oscillariolide

ChEBI IDCHEBI:224654
ChEBI NameOscillariolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H69BrO11
Net Charge0
Average Mass817.896
Monoisotopic Mass816.40233
SMILESC=C(CC(O)CC(O)C(C)C(O)CC(O)C(C)(C)C(O)CC(C)=C[C@H](O)[C@@]1(C)O[C@H]2CC(C)CC(O)CC(C)CC(C)=CC(=O)O[C@@H]1C2)C(=CBr)OC
InChIInChI=1S/C41H69BrO11/c1-23-11-24(2)17-39(50)52-38-20-31(14-25(3)13-29(43)12-23)53-41(38,9)37(49)16-26(4)15-35(47)40(7,8)36(48)21-33(46)28(6)32(45)19-30(44)18-27(5)34(22-42)51-10/h16-17,22-23,25,28-33,35-38,43-49H,5,11-15,18-21H2,1-4,6-10H3/t23?,25?,28?,29?,30?,31-,32?,33?,35?,36?,37-,38+,41+/m0/s1
InChIKeyPLLOEODSUMNSFG-VYCIQSKRSA-N
Species of MetaboliteComponentSourceComments
Oscillatoriaspecies (ncbitaxon:1159) - DOI (10.1016/s0040-4039(00)79931-x)
ChEBI Ontology
Outgoing Relation(s)
Oscillariolide (CHEBI:224654) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,13S,15R)-15-[(1S)-17-bromo-1,5,7,9,11,13-hexahydroxy-16-methoxy-3,6,6,10-tetramethyl-15-methylideneheptadeca-2,16-dienyl]-9-hydroxy-5,7,11,15-tetramethyl-2,14-dioxabicyclo[11.2.1]hexadec-4-en-3-one