input word = C00018564

Metabolite InformationStructural formula
Name Bafilomycin C1
L 681110A1
Formula C39H60O12
Mw 720.40847738
CAS RN 88979-61-7
C_ID C00018564 ,
InChIKey WUDBXVQNMOTFEE-HGCGAQKONA-N
InChICode InChI=1S/C39H60O12/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18-,30-19-/t24-,25-,26-,27-,28-,29+,31+,34-,35+,36+,37+,39+/m0/s1
SMILES C\1=C/[C@H]([C@H](OC(=O)/C(=C/C(=C\[C@@H]([C@H]([C@H](C/C(=C1)/C)C)O)C)/C)/OC)[C@H]([C@H]([C@@H]([C@]1(C[C@H]([C@@H]([C@H](O1)C(C)C)C)OC(=O)/C=C/C(=O)O)O)C)O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus T-1922 Ref.
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