input word = C00018194

Metabolite InformationStructural formula
Name Noboritomycin B
Formula C44H66O14
Mw 818.44525682
CAS RN 68508-46-3
C_ID C00018194 ,
InChIKey AFGBEDQMTFPVJS-DQTMOWAGNA-N
InChICode InChI=1S/C44H66O14/c1-12-28-14-15-29(33(36(28)49)40(50)51)21(3)18-22(4)34(47)25(7)35(48)26(8)37-23(5)19-24(6)43(56-37)17-16-31(46)44(58-43)27(9)39(53-11)42(10,57-44)32-20-30(45)38(55-32)41(52)54-13-2/h14-17,21-27,30-32,34,37-39,45-47,49H,12-13,18-20H2,1-11H3,(H,50,51)/t21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,34-,37-,38-,39+,42-,43-,44-/m0/s1
SMILES CCOC(=O)[C@H]1O[C@@H]([C@@]2(C)O[C@]3(O[C@]4(C=C[C@H]3O)O[C@H]([C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@H](C)c3ccc(CC)c(O)c3C(=O)O)[C@@H](C)C[C@H]4C)[C@H](C)[C@H]2OC)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces noboritoensis NRRL 8123 Ref.
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