input word = C00018019

Metabolite InformationStructural formula
Name Salinomycin
Antibiotic 61477
Coxistac
Formula C42H70O11
Mw 750.49181308
CAS RN 53003-10-4
C_ID C00018019 ,
InChIKey KQXDHUJYNAXLNZ-NZNWKSEANA-N
InChICode InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1
SMILES C1[C@@H]([C@H]([C@H]([C@@H]([C@@H](C(=O)[C@@H]([C@H]2O[C@]3([C@@H](C[C@@H]2C)C)O[C@]2([C@@H](C=C3)O)CC[C@@](O2)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)CC)C)O)C)O[C@H](C1)[C@@H](CC)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces albus ATCC 21838 Ref.
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