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CHEBI:207457 - 23-O-butyrylbafilomycin D

ChEBI IDCHEBI:207457
ChEBI Name23-O-butyrylbafilomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H62O9
Net Charge0
Average Mass674.916
Monoisotopic Mass674.43938
SMILESCCCC(=O)O[C@H](C(C)C)[C@@H](C)/C=C/C(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]1OC
InChIInChI=1S/C39H62O9/c1-13-15-34(41)47-37(23(2)3)26(6)18-19-31(40)29(9)36(43)30(10)38-32(45-11)17-14-16-24(4)20-27(7)35(42)28(8)21-25(5)22-33(46-12)39(44)48-38/h14,16-19,21-23,26-30,32,35-38,42-43H,13,15,20H2,1-12H3/b17-14+,19-18+,24-16+,25-21+,33-22-/t26-,27+,28+,29+,30-,32-,35-,36-,37+,38+/m0/s1
InChIKeyMBPAMCVOCHDMNK-CIFCEQHNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (28571080)
ChEBI Ontology
Outgoing Relation(s)
23-O-butyrylbafilomycin D (CHEBI:207457) is a macrolide (CHEBI:25106)
IUPAC Name 
[(E,3R,4S,8S,9R,10S)-9-hydroxy-10-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundec-5-en-3-yl] butanoate
Manual XrefsDatabases
63002551ChemSpider