input word = C00016236

Metabolite InformationStructural formula
Name Saricandin
Formula C44H54O16
Mw 838.34118568
CAS RN 178494-90-1
C_ID C00016236 ,
InChIKey HBUHGNHKDUGKCO-FAPOZUKBNA-N
InChICode InChI=1S/C44H54O16/c1-2-3-4-5-6-7-12-17-29(46)18-13-9-14-19-35(50)58-41-40(32(24-45)60-44(42(41)54)36-28(25-56-44)22-30(47)23-31(36)48)59-43-39(53)38(52)37(51)33(57-43)26-55-34(49)21-20-27-15-10-8-11-16-27/h6-17,19-23,29,32-33,37-43,45-48,51-54H,2-5,18,24-26H2,1H3/b7-6+,13-9+,17-12+,19-14+,21-20+/t29-,32+,33-,37+,38-,39+,40+,41-,42+,43-,44-/m0/s1
SMILES C(CCC/C=C/C=C/[C@@H](C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccccc1)O)O)O)CO)c1c(CO2)cc(cc1O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sp. AB 2202W-161 Ref.
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