input word = C00055452

Metabolite InformationStructural formula
Name Capsianoside X
Formula C56H94O31
Mw 1262.57790629
CAS RN 919121-14-5
C_ID C00055452
InChIKey WINLAORXDOUSPY-CBVPRFJISA-N
InChICode InChI=1S/C56H94O31/c1-7-56(6,87-55-49(86-54-44(73)39(68)35(64)29(19-59)81-54)46(75)47(30(20-60)82-55)84-52-42(71)37(66)33(62)27(17-57)79-52)16-10-15-24(3)12-8-11-23(2)13-9-14-25(4)21-76-51-45(74)40(69)48(85-53-43(72)38(67)34(63)28(18-58)80-53)31(83-51)22-77-50-41(70)36(65)32(61)26(5)78-50/h7,11,14-15,26-55,57-75H,1,8-10,12-13,16-22H2,2-6H3/b23-11+,24-15+,25-14-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1
SMILES C/C(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[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]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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