input word = C00033167

Metabolite InformationStructural formula
Name Marstomentoside E
(+)-Marstomentoside E
Formula C51H76O17
Mw 960.508251
CAS RN 238398-68-0
C_ID C00033167 ,
InChIKey XLVYFAXXHUCCDJ-YOOMCENINA-N
InChICode InChI=1S/C51H76O17/c1-27-41(54)45(61-9)42(55)46(64-27)68-44-29(3)63-40(25-35(44)60-8)67-43-28(2)62-39(24-34(43)59-7)65-33-18-19-47(5)32(23-33)17-20-50(57)36(47)26-37(66-38(53)16-15-31-13-11-10-12-14-31)48(6)49(56,30(4)52)21-22-51(48,50)58/h10-17,27-30,33-37,39-46,52,54-58H,18-26H2,1-9H3/b16-15+/t27-,28-,29-,30+,33+,34+,35+,36-,37-,39+,40+,41-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51-/m1/s1
SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@]5(C)[C@]6(O)CC[C@@]5(O)[C@H](C)O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
zoom in