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CHEBI:208811 - Bastimolide B

ChEBI IDCHEBI:208811
ChEBI NameBastimolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84O11
Net Charge0
Average Mass789.145
Monoisotopic Mass788.60136
SMILESC/C1=C/C(=O)O[C@H](CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@H](O)C(C)(C)C)C[C@@H](O)C[C@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCCCC1
InChIInChI=1S/C44H84O11/c1-32-14-6-5-7-15-37(49)29-38(50)24-10-20-34(46)21-11-25-39(51)30-40(52)31-41(55-43(54)28-32)26-12-22-35(47)18-8-16-33(45)17-9-19-36(48)23-13-27-42(53)44(2,3)4/h28,33-42,45-53H,5-27,29-31H2,1-4H3/b32-28-/t33-,34+,35+,36-,37+,38-,39-,40+,41-,42+/m1/s1
InChIKeySBOIIYFHQBOEPC-IFYMMUEESA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (29327931)
ChEBI Ontology
Outgoing Relation(s)
Bastimolide B (CHEBI:208811) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,10S,12R,16S,20R,22S,24R)-10,12,16,20,22-pentahydroxy-4-methyl-24-[(4S,8S,12R,16S)-4,8,12,16-tetrahydroxy-17,17-dimethyloctadecyl]-1-oxacyclotetracos-3-en-2-one
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64808816ChemSpider