input word = C00055451

Metabolite InformationStructural formula
Name Capsianoside VIII
Formula C50H84O25
Mw 1084.53016824
CAS RN 914306-69-7
C_ID C00055451
InChIKey DZLPJAVTYMEVKW-CGNMSBDBSA-N
InChICode InChI=1S/C50H84O25/c1-8-50(7,75-49-44(37(60)33(56)28(19-52)71-49)74-48-41(64)36(59)32(55)27(18-51)70-48)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-42(65)38(61)43(73-47-40(63)35(58)31(54)26(6)69-47)29(72-46)21-67-45-39(62)34(57)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+/m0/s1
SMILES C/C(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O1)=C/CC/C(C)=C/CC/C(C)=C/CC[C@](C=C)(C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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