input word = C00051726

Metabolite InformationStructural formula
Name Goyaglycoside-e
Formula C42H68O13
Mw 780.46599226
CAS RN 333333-12-3
C_ID C00051726
InChIKey IZECUWXXDNFCRQ-AKOLCCNQNA-N
InChICode InChI=1S/C42H68O13/c1-22(9-8-14-37(2,3)55-36-34(50)32(48)30(46)25(20-44)53-36)23-12-15-40(7)26-13-16-42-27(41(26,21-51-42)18-17-39(23,40)6)10-11-28(38(42,4)5)54-35-33(49)31(47)29(45)24(19-43)52-35/h8,13-14,16,22-36,43-50H,9-12,15,17-21H2,1-7H3/b14-8+/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-,35+,36+,39-,40+,41+,42-/m1/s1
SMILES C[C@H](C/C=C/C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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