input word = C00016335

Metabolite InformationStructural formula
Name Cytovaricin B
Formula C48H82O16
Mw 914.56028657
CAS RN 129985-88-2
C_ID C00016335 ,
InChIKey LJKNWVYWRGRCGM-GARYEECKNA-N
InChICode InChI=1S/C48H82O16/c1-11-33(49)22-34-28(3)16-20-47(63-34)24-36-29(4)37(64-47)25-48(58-10)32(21-27(2)26-59-48)15-13-12-14-18-45(7,55)44(54)42(62-39-23-35(57-9)41(52)31(6)60-39)40(51)30(5)43(53)46(8,56)19-17-38(50)61-36/h13,15,17,19,27-37,39-44,49,51-56H,11-12,14,16,18,20-26H2,1-10H3/b15-13-,19-17+/t27-,28+,29+,30+,31-,32-,33+,34-,35+,36-,37-,39+,40+,41-,42-,43+,44+,45-,46+,47-,48+/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](O1)C[C@@H](CC)O)C)C)(OC)OC[C@H](C2)C)(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 torulosus 3197-GM1 Ref.
zoom in