input word = C00018825

Metabolite InformationStructural formula
Name Tolypomycin Y
NSC 177383
Formula C43H54N2O14
Mw 822.35750445
CAS RN 23412-26-2
C_ID C00018825 ,
InChIKey RYCBEGMWBUYSAD-MQURYUQBNA-N
InChICode InChI=1S/C43H54N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,48-51H,10-11,15H2,1-9H3,(H,45,54)/b13-12-,17-14-,44-27+/t18-,19+,20-,22+,24-,25+,26-,30-,31+,35-,36-,39-,43+/m1/s1
SMILES CO[C@H]1/C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)/C(=N/[C@@H]2CC[C@@H](O)O[C@H]2C)C=C(NC(=O)/C(C)=CC(=O)[C@@H]2C[C@@H]2[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces tolypophorus nov. sp. No. B2847 Ref.
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