input word = C00009267

Metabolite InformationStructural formula
Name Selligueain B
Formula C48H40O17
Mw 888.22654986
CAS RN 156648-84-9
C_ID C00009267 ,
InChIKey IOFWUQDMMUNONY-CAZRVWAXNA-N
InChICode InChI=1S/C48H40O17/c1-61-33(57)16-26-34-28(54)17-29(55)36(45(34)62-43(41(26)58)19-2-8-22(49)9-3-19)39-37-30(56)18-32-38(46(37)63-44(42(39)59)20-4-10-23(50)11-5-20)40-35-27(53)14-25(52)15-31(35)64-48(65-32,47(40)60)21-6-12-24(51)13-7-21/h2-15,17-18,26,39-44,47,49-56,58-60H,16H2,1H3/t26-,39-,40+,41+,42+,43+,44+,47+,48-/m0/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@H]1c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2CC(=O)OC)O)c1ccc(cc1)O)O)O)O)c1ccc(cc1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolypodiaceaeSelliguea feei Ref.
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