input word = C00018563

Metabolite InformationStructural formula
Name Bafilomycin B2
Formula C45H67NO13
Mw 829.46124123
CAS RN 88907-48-6
C_ID C00018563 ,
InChIKey PZUWLJPPTRCBLM-PHGHQSSTNA-N
InChICode InChI=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-/t27-,28+,29-,30-,31-,34-,36+,40-,41+,42+,43+,45+/m0/s1
SMILES CO/C1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus T-1922 Ref.
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