input word = C00017923

Metabolite InformationStructural formula
Name Benanomicin A
Formula C39H41NO19
Mw 827.22727814
CAS RN 116249-65-1
C_ID C00017923 ,
InChIKey GOYUMGXIFMGKFN-NXIALKRMNA-N
InChICode InChI=1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11-,12+,19-,25+,28+,29-,32-,33-,34+,35+,38-,39+/m1/s1
SMILES c1(cc(c2c(c1)C(=O)c1c(C2=O)cc2c(c1O)c1c([C@@H]([C@H]2O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)C)O)O[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O)O)cc(c(c1O)C(=O)N[C@@H](C(=O)O)C)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Actinomycete sp. MH193-16F4 Ref.
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