input word = C00018428

Metabolite InformationStructural formula
Name 16,17-Dihydrorifamycin S
Formula C37H47NO12
Mw 697.30982597
CAS RN 51874-02-3
C_ID C00018428 ,
InChIKey QIEGGORREWMESJ-YCPNJQBHNA-N
InChICode InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-11,13-20,25,29-30,33,41-43H,12H2,1-9H3,(H,38,46)/b11-10+,14-13+/t16-,17-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
SMILES C\1=C/O[C@]2(Oc3c(C)c(c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)[C@H](C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]1OC)C)OC(=O)C)C)O)C)O)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis mediterranei C 5/42 Ref.
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