input word = C00063866

Metabolite InformationStructural formula
Name 2,25-Di-O-beta-D-glucopyranosylcucurbitacin L
Formula C42H64O17
Mw 840.41435062
CAS RN 142674-88-2
C_ID C00063866
InChIKey RDORWLUFQKYJRK-FJIHFUGGSA-N
InChICode InChI=1S/C42H64O17/c1-37(2,59-36-32(53)30(51)28(49)23(17-44)58-36)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(54)38(18,3)4)56-35-31(52)29(50)27(48)22(16-43)57-35/h9,13,19-20,22-24,27-33,35-36,43-45,48-53,55H,10-12,14-17H2,1-8H3/t19-,20-,22-,23-,24+,27-,28-,29+,30+,31-,32-,33+,35-,36+,39+,40-,41+,42+/m1/s1
SMILES CC(C)(CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C)OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
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