input word = C00018774

Metabolite InformationStructural formula
Name Kujimycin B
Formula C42H72O16
Mw 832.48203625
CAS RN 30042-37-6
C_ID C00018774 ,
InChIKey JQMACDQCTNFQMM-SZRAHWOJNA-N
InChICode InChI=1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-,30-,31-,32-,33-,34+,35-,36+,38+,40-,41-,42+/m0/s1
SMILES CO[C@H]1CC(C)O[C@@H](O[C@H]2[C@@H](C)C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H]([C@@H](C)[C@H](C)O)OC(=O)[C@H](C)C(O[C@H]3C[C@@](C)(OC)[C@H](OC(C)=O)C(C)O3)[C@@H]2C)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TPR-885 Ref.
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