input word = C00017173

Metabolite InformationStructural formula
Name Antibiotic Y 262-2
Yellamycin B
Formula C36H48N2O11
Mw 684.32581039
CAS RN 119445-99-7
C_ID C00017173 ,
InChIKey LQNQZSVFAICQKC-QLZQTATQNA-N
InChICode InChI=1S/C36H48N2O11/c1-8-36(45)15-24(48-25-13-21(37(4)5)30(40)16(2)46-25)19-12-20-28(32(42)18-10-9-11-23(39)27(18)33(20)43)34(44)29(19)35(36)49-26-14-22(38(6)7)31(41)17(3)47-26/h9-12,16-17,21-22,24-26,30-31,35,39-41,44-45H,8,13-15H2,1-7H3/t16-,17-,21-,22+,24-,25+,26-,30+,31+,35-,36+/m0/s1
SMILES C1[C@]([C@H](c2c([C@H]1O[C@H]1O[C@H]([C@H]([C@H](C1)N(C)C)O)C)cc1c(c2O)C(=O)c2c(C1=O)c(ccc2)O)O[C@@H]1O[C@H]([C@H]([C@@H](C1)N(C)C)O)C)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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