input word = C00016545

Metabolite InformationStructural formula
Name Fusacandin B
Formula C41H60O20
Mw 872.36779436
CAS RN 166407-34-7
C_ID C00016545 ,
InChIKey DEPSCDXHCFJSQZ-USKRGLAGNA-N
InChICode InChI=1S/C41H60O20/c1-2-3-4-5-6-7-9-12-22(46)13-10-8-11-14-28(49)59-38-35(55)37(29-21(17-42)15-23(47)16-24(29)48)56-27(20-45)36(38)60-41-39(33(53)31(51)26(19-44)58-41)61-40-34(54)32(52)30(50)25(18-43)57-40/h6-12,14-16,22,25-27,30-48,50-55H,2-5,13,17-20H2,1H3/b7-6+,10-8+,12-9+,14-11+/t22-,25+,26+,27-,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40+,41+/m1/s1
SMILES O(C(=O)/C=C/C=C/C[C@@H](/C=C/C=C/CCCCC)O)[C@H]1[C@H]([C@H](c2c(cc(cc2O)O)CO)O[C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sambucinum AB 1910A-1314 Ref.
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