input word = C00018438

Metabolite InformationStructural formula
Name Kirrothricin
Formula C44H64N2O10
Mw 780.45609628
CAS RN 79190-00-4
C_ID C00018438 ,
InChIKey GFPYWBPGDHFJDP-ZWRXTKDVNA-N
InChICode InChI=1S/C44H64N2O10/c1-10-12-16-24-36-43(6,7)35(49)28-44(54,56-36)32(11-2)41(52)45-26-20-19-22-30(4)40(55-9)31(5)39(51)34(48)23-18-15-13-14-17-21-29(3)38(50)37-33(47)25-27-46(8)42(37)53/h10,12-24,31-32,34-36,39-40,47-49,51,54H,11,25-28H2,1-9H3,(H,45,52)/b12-10-,15-13+,17-14+,20-19+,23-18+,24-16+,29-21+,30-22+/t31-,32+,34-,35-,36-,39-,40+,44-/m0/s1
SMILES C1(=C(CCN(C1=O)C)O)C(=O)/C(=C/C=C/C=C/C=C/[C@@H]([C@H]([C@@H]([C@@H](/C(=C/C=C/CNC(=O)[C@H]([C@@]1(C[C@H](O)C([C@@H](O1)/C=C/C=C\C)(C)C)O)CC)/C)OC)C)O)O)/C
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cinnamoneus strain T.89 Ref.
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