input word = C00056383

Metabolite InformationStructural formula
Name Kuguaglycoside E
Formula C42H70O14
Mw 798.47655695
CAS RN 1041631-95-1
C_ID C00056383
InChIKey LSBBAHYFHCJMIN-DJDUJDLESA-N
InChICode InChI=1S/C42H70O14/c1-20(2)14-22(53-37-34(51)32(49)30(47)27(17-43)55-37)15-21(3)23-10-11-41(7)36-26(54-38-35(52)33(50)31(48)28(18-44)56-38)16-25-24(8-9-29(46)39(25,4)5)42(36,19-45)13-12-40(23,41)6/h14,16,21-24,26-38,43-52H,8-13,15,17-19H2,1-7H3/t21-,22?,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,40-,41+,42-/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@]([C@@](CC[C@]3([H])[C@H](C)CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C=C(C)/C)(C)[C@]3(C)CC5)([H])[C@]5(CO)[C@@](CC[C@H](O)C6(C)C)([H])C6=C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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