input word = C00057677

Metabolite InformationStructural formula
Name Momordicoside N
Formula C42H68O14
Mw 796.46090688
CAS RN 944711-21-1
C_ID C00057677
InChIKey UVPDCWZQGLOBOB-QUSDTEJPSA-N
InChICode InChI=1S/C42H68O14/c1-20(2)16-23(53-36-34(50)32(48)30(46)24(17-43)54-36)29(45)21(3)22-10-12-40(7)26-11-13-42-27(41(26,19-52-42)15-14-39(22,40)6)8-9-28(38(42,4)5)56-37-35(51)33(49)31(47)25(18-44)55-37/h11,13,16,21-37,43-51H,8-10,12,14-15,17-19H2,1-7H3/t21-,22+,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37-,39+,40-,41-,42+/m0/s1
SMILES O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2C(C)(C)[C@@]3(C=C[C@]4([H])[C@@]5(CO3)CC[C@@]6(C)[C@@]4(C)CC[C@]6([H])[C@H](C)[C@H](O)[C@H](/C=C(C)/C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]7O)[C@@]5([H])CC2)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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