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CHEBI:221492 - Bastimolide A

ChEBI IDCHEBI:221492
ChEBI NameBastimolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H84O11
Net Charge0
Average Mass789.145
Monoisotopic Mass788.60136
SMILESCC1=CC(=O)O[C@H](C(C)(C)C)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)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)24-10-20-35(47)22-12-26-40(52)31-41(53)30-39(51)25-11-21-34(46)18-8-16-33(45)17-9-19-36(48)23-13-27-42(44(2,3)4)55-43(54)28-32/h28,33-42,45-53H,5-27,29-31H2,1-4H3/t33-,34+,35+,36-,37+,38-,39-,40-,41-,42+/m1/s1
InChIKeyGMYBARKHHWBGAC-LHLJFWNOSA-N
Species of MetaboliteComponentSourceComments
Okeania hirsuta (ncbitaxon:1458930) - PubMed (26222145)
ChEBI Ontology
Outgoing Relation(s)
Bastimolide A (CHEBI:221492) is a macrolide (CHEBI:25106)
IUPAC Name 
(10S,12R,16S,20R,22R,24R,28S,32R,36R,40S)-40-tert-butyl-10,12,16,20,22,24,28,32,36-nonahydroxy-4-methyl-1-oxacyclotetracont-3-en-2-one