input word = C00057559

Metabolite InformationStructural formula
Name Saponin G
Formula C42H68O13
Mw 780.46599226
CAS RN 79190-13-9
C_ID C00057559
InChIKey AIQVSZGMSMEENK-UHFFFAOYSA-N
InChICode InChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3
SMILES CC(C)=CC1CC(C)(OC2OC(C)C(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia dulcis Ref.
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OrganismHovenia dulcis
ReferenceKawai, K.-I. et al., Acta Cryst. B, 1974, 30, 2886-2888 (cryst struct)