input word = C00018047

Metabolite InformationStructural formula
Name Deoxynigericin
Grisorixine
Formula C40H68O10
Mw 708.48124839
CAS RN 31357-58-1
C_ID C00018047 ,
InChIKey ZITSQIZMRMDQLE-UHFFFAOYNA-N
InChICode InChI=1S/C40H68O10/c1-21-12-13-28(45-33(21)26(6)36(41)42)18-29-19-30(44-11)27(7)40(47-29)25(5)20-38(9,50-40)32-14-15-37(8,48-32)35-23(3)17-31(46-35)34-22(2)16-24(4)39(10,43)49-34/h21-35,43H,12-20H2,1-11H3,(H,41,42)/t21-,22+,23-,24-,25+,26+,27-,28+,29-,30-,31+,32-,33-,34+,35-,37-,38-,39+,40-/m1/s1
SMILES [C@@H]1(O[C@]2([C@@H]([C@@H](C1)OC)C)[C@H](C[C@@](O2)([C@H]1CC[C@](O1)(C)[C@H]1[C@@H](C[C@H](O1)[C@@H]1[C@H](C[C@H]([C@@](O1)(C)O)C)C)C)C)C)C[C@@H]1CC[C@H]([C@@H](O1)[C@H](C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus Ref.
zoom in