input word = C00016680

Metabolite InformationStructural formula
Name Altromycin G
Formula C45H55NO18
Mw 897.34191396
CAS RN 134887-79-9
C_ID C00016680 ,
InChIKey HUERDIYXSZKKMF-UHFFFAOYNA-N
InChICode InChI=1S/C45H55NO18/c1-16-32(48)25(56-7)14-28(60-16)63-40-18(3)59-26(15-43(40,5)46)20-10-11-21-29(35(20)51)36(52)30-22(34(21)50)12-23(31-24(47)13-27(62-38(30)31)44(6)19(4)64-44)45(55,42(54)58-9)41-37(53)39(57-8)33(49)17(2)61-41/h10-13,16-19,25-26,28,32-33,37,39-41,48-49,51,53,55H,14-15,46H2,1-9H3/t16-,17+,18+,19+,25-,26-,28-,32-,33+,37-,39+,40+,41-,43+,44-,45-/m1/s1
SMILES c1c(c(c2c(c1)C(=O)c1c(C2=O)c2c(c(c1)[C@]([C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)OC)O)C)(O)C(=O)OC)c(=O)cc(o2)[C@@]1(O[C@H]1C)C)O)[C@H]1C[C@]([C@@H](O[C@H]2O[C@@H]([C@H]([C@@H](C2)OC)O)C)[C@@H](O1)C)(C)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--AB 1246E-26 (NRRL 18371) Ref.
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