input word = C00018712

Metabolite InformationStructural formula
Name NSC 182391
Rifamycin O
Formula C39H47NO14
Mw 753.29965522
CAS RN 14487-05-9
C_ID C00018712 ,
InChIKey RAFHKEAPVIWLJC-NXKZBQQKNA-N
InChICode InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39-/m0/s1
SMILES [C@H]1([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](/C=C/C=C(/C)\C(=O)NC2=C[C@]3(c4c5C(=O)[C@@](O/C=C/1)(Oc5c(c(c4C2=O)O)C)C)OCC(=O)O3)C)C)O)C)OC(=O)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces 4107 A2 Ref.
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