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CHEBI:227365 - Bafilomycin C2

ChEBI IDCHEBI:227365
ChEBI NameBafilomycin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62O12
Net Charge0
Average Mass734.924
Monoisotopic Mass734.42413
SMILESCO/C1=C\C(C)=C\C(C)C(O)C(C)C/C(C)=C/C=C/C(OC)C(C(C)C(O)C(C)C2(OC)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C40H62O12/c1-22(2)37-27(7)32(50-34(43)17-16-33(41)42)21-40(49-12,52-37)29(9)36(45)28(8)38-30(47-10)15-13-14-23(3)18-25(5)35(44)26(6)19-24(4)20-31(48-11)39(46)51-38/h13-17,19-20,22,25-30,32,35-38,44-45H,18,21H2,1-12H3,(H,41,42)/b15-13+,17-16+,23-14+,24-19+,31-20-
InChIKeyJJWSROGFOAZFRD-QXJRIXSMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)88394-x)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin C2 (CHEBI:227365) is a macrolide (CHEBI:25106)
IUPAC Name 
(E)-4-[2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
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