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CHEBI:206893 - Bafilomycin B2

ChEBI IDCHEBI:206893
ChEBI NameBafilomycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67NO13
Net Charge0
Average Mass830.025
Monoisotopic Mass829.46124
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)NC3=C(O)CCC3=O)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C45H67NO13/c1-24(2)42-29(7)36(57-38(50)19-18-37(49)46-39-32(47)16-17-33(39)48)23-45(56-12,59-42)31(9)41(52)30(8)43-34(54-10)15-13-14-25(3)20-27(5)40(51)28(6)21-26(4)22-35(55-11)44(53)58-43/h13-15,18-19,21-22,24,27-31,34,36,40-43,47,51-52H,16-17,20,23H2,1-12H3,(H,46,49)/b15-13+,19-18+,25-14+,26-21+,35-22-
InChIKeyPZUWLJPPTRCBLM-IVJZCBLMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)88394-x)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin B2 (CHEBI:206893) is a macrolide (CHEBI:25106)
IUPAC Name 
[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] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
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8548736ChemSpider