input word = C00018368

Metabolite InformationStructural formula
Name Bafilomycin B1
Setamycin
Formula C44H65NO13
Mw 815.44559117
CAS RN 88899-56-3
C_ID C00018368 ,
InChIKey KFUFLYSBMNNJTF-CTNJKKNKNA-N
InChICode InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13-,25-20-,34-21-/t26-,27+,28-,29-,30-,33+,35+,39-,40+,41+,42+,44+/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([C@@H](C)C(O)[C@H](C)[C@@]2(O)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-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus T-1922 Ref.
--Actinomycete KM-6054 Ref.
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