input word = C00029907

Metabolite InformationStructural formula
Name Capsianoside II
Formula C50H84O25
Mw 1084.53016824
CAS RN 121961-80-6
C_ID C00029907 ,
InChIKey NFBYZSYLZUMCFV-FWHVAUBDNA-N
InChICode InChI=1S/C50H84O25/c1-8-50(7,75-49-44(38(61)33(56)28(19-52)71-49)74-47-40(63)36(59)32(55)27(18-51)70-47)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)43(31(54)26(6)69-46)73-48-41(64)37(60)34(57)29(72-48)21-67-45-39(62)35(58)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12+,23-16+,24-15+/t25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,49-,50-/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)OC[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)OC/C(=C/CC/C(=C/CC/C(=C/CC[C@@](C=C)(O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C)/C)/C)/C)C)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum L. Ref.
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