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 COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](C)C(=O)O)c1O)[C@H](O[C@@H]1OC(C)[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)C4O)C1O)[C@H]3O)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Actinomycete sp. MH193-16F4 Ref.
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