input word = C00029382

Metabolite InformationStructural formula
Name 11-Oxomogroside IIE
Formula C42H70O14
Mw 798.47655695
CAS RN 918972-06-2
C_ID C00029382 ,
InChIKey TUFDSEMWRYIOBO-UYBTVXDZNA-N
InChICode InChI=1S/C42H70O14/c1-20(9-13-29(39(4,5)52)56-37-35(51)33(49)31(47)25(19-44)54-37)21-15-16-40(6)26-12-10-22-23(42(26,8)27(45)17-41(21,40)7)11-14-28(38(22,2)3)55-36-34(50)32(48)30(46)24(18-43)53-36/h10,20-21,23-26,28-37,43-44,46-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
SMILES C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeSiraitia grosvenori Ref.
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