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CHEBI:207555 - Caylobolide B

ChEBI IDCHEBI:207555
ChEBI NameCaylobolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80O11
Net Charge0
Average Mass761.091
Monoisotopic Mass760.57006
SMILESCCCCC(C)C1CC(O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCCC(O)CCCC(O)CCCC(O)CCC[C@@H](O)C[C@@H](O)CCCC(C)=CC(=O)O1
InChIInChI=1S/C42H80O11/c1-4-5-13-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-19-34(45)17-8-15-32(43)14-7-16-33(44)18-9-21-36(47)26-35(46)20-6-12-30(2)25-42(52)53-41/h25,31-41,43-51H,4-24,26-29H2,1-3H3/t31?,32?,33?,34?,35-,36+,37-,38-,39?,40-,41?/m0/s1
InChIKeyXCMPEWXFVPCAPO-FJSLAZIDSA-N
Species of MetaboliteComponentSourceComments
Phormidiumspecies (ncbitaxon:1199) - PubMed (20806908)
ChEBI Ontology
Outgoing Relation(s)
Caylobolide B (CHEBI:207555) is a macrolide (CHEBI:25106)
IUPAC Name 
(8S,10R,26S,28S,30S)-36-hexan-2-yl-8,10,14,18,22,26,28,30,34-nonahydroxy-4-methyl-1-oxacyclohexatriacont-3-en-2-one