input word = C00057600

Metabolite InformationStructural formula
Name Saponin E
Formula C42H68O14
Mw 796.46090688
CAS RN 85191-73-7
C_ID C00057600
InChIKey WYUVNVQVBRTNKF-UHFFFAOYSA-N
InChICode InChI=1S/C42H68O14/c1-20(2)15-22(44)16-41(8)35(56-41)23-9-10-26-39(6)13-12-27(38(4,5)25(39)11-14-40(26,7)42(23)17-28(45)51-19-42)54-37-34(32(49)30(47)24(18-43)53-37)55-36-33(50)31(48)29(46)21(3)52-36/h15,21-27,29-37,43-44,46-50H,9-14,16-19H2,1-8H3
SMILES O=C(OC1)CC21C3(C)CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC6C(O)C(O)C(O)C(C)O6)CCC4(C)C3CCC2C7C(C)(CC(O)/C=C(C)/C)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia dulcis Ref.
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