input word = C00018362

Metabolite InformationStructural formula
Name Cytovaricin
NSC 349622
Formula C47H80O16
Mw 900.54463651
CAS RN 79553-45-0
C_ID C00018362 ,
InChIKey NORZLTHXFWGSAT-ZOUAGPMQNA-N
InChICode InChI=1S/C47H80O16/c1-10-32(48)21-33-27(3)15-19-46(62-33)23-35-28(4)36(63-46)24-47(56)31(20-26(2)25-58-47)14-12-11-13-17-44(7,54)43(53)41(61-38-22-34(57-9)40(51)30(6)59-38)39(50)29(5)42(52)45(8,55)18-16-37(49)60-35/h12,14,16,18,26-36,38-43,48,50-56H,10-11,13,15,17,19-25H2,1-9H3/b14-12-,18-16+/t26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-,38-,39+,40-,41+,42-,43-,44+,45-,46-,47-/m0/s1
SMILES [C@]1([C@H]([C@@H]([C@H]([C@H]([C@@H]([C@](CCC/C=C\[C@@H]2[C@](C[C@H]3[C@H]([C@@H](OC(=O)/C=C/1)C[C@@]1(O3)CC[C@H]([C@H](C[C@@H](O)CC)O1)C)C)(OC[C@H](C2)C)O)(C)O)O)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)OC)O)C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. No.H-230 Ref.
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