input word = C00033735

Metabolite InformationStructural formula
Name Cucurbitaglycoside A
(-)-Ribosylcucurbitaglycoside B
Formula C46H65N4O16
Mw 929.43955706
CAS RN 1023952-21-7
C_ID C00033735 ,
InChIKey URTOXXGIVHAQEK-PMSOJUADNA-N
InChICode InChI=1S/C46H65N5O16/c1-41(2)19-9-10-25-43(5)13-21(54)35(44(43,6)14-28(56)45(25,7)20(19)11-22(36(41)62)66-40-34(61)32(59)30(57)24(16-53)67-40)46(8,64)27(55)12-26(42(3,4)63)50-37-29-38(48-17-47-37)51(18-49-29)39-33(60)31(58)23(15-52)65-39/h9,11,17-18,20-21,23-26,30-35,39-40,52-54,57-61,63-64H,10,12-16H2,1-8H3,(H,47,48,50)/t20-,21-,23+,24-,25+,26-,30+,31-,32+,33-,34-,35+,39+,40-,43+,44-,45+,46+/m1/s1
SMILES CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(=O)CC(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(C)(C)O)[C@H](O)C[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo cv dayangua Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
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