input word = C00016844

Metabolite InformationStructural formula
Name Respinomycin C
Formula C36H45NO14
Mw 715.28400516
CAS RN 151233-06-6
C_ID C00016844 ,
InChIKey BZFHXAJTVQBODO-UHFFFAOYNA-N
InChICode InChI=1S/C36H45NO14/c1-13-28(42)35(3,45)31(47-8)33(48-13)50-27-18-14(12-34(2,44)30(27)46-7)11-16-19(23(18)39)24(40)20-15(22(16)38)9-10-17-26(20)49-32-25(41)21(37(5)6)29(43)36(17,4)51-32/h9-11,13,21,25,27-33,39,41-45H,12H2,1-8H3/t13-,21-,25-,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+/m0/s1
SMILES c12c(C(=O)c3c(C1=O)cc1c(c3O)[C@H]([C@@H]([C@@](C1)(C)O)OC)O[C@@H]1[C@@H]([C@@]([C@H]([C@@H](O1)C)O)(C)O)OC)c1c(cc2)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O1)O2)O)N(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces xanthocidicus Ref.
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