input word = C00043557

Metabolite InformationStructural formula
Name Gynoside E
(+)-Gynoside E
Formula C41H68O13
Mw 768.46599226
CAS RN 750635-78-0
C_ID C00043557 ,
InChIKey VHGOSAQLMJSWDC-CYBNASLINA-N
InChICode InChI=1S/C41H68O13/c1-35(2)24-10-14-38(6)25(17-22-27-20(9-13-39(27,38)7)40(8)15-16-41(53-22,54-40)36(3,4)48)37(24,5)12-11-26(35)51-34-32(28(44)21(43)19-49-34)52-33-31(47)30(46)29(45)23(18-42)50-33/h20-34,42-48H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30-,31+,32+,33-,34-,37-,38+,39+,40-,41-/m0/s1
SMILES CC1(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@H]4O[C@@]5(C(C)(C)O)CC[C@](C)(O5)[C@H]5CC[C@](C)([C@H]45)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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