input word = C00056310

Metabolite InformationStructural formula
Name Lucyoside M
Formula C44H68O15
Mw 836.4558215
CAS RN 100156-32-9
C_ID C00056310
InChIKey FNSXRAISABPGKU-UHFFFAOYSA-N
InChICode InChI=1S/C44H68O15/c1-22(47)55-20-26-31(49)33(51)34(52)36(57-26)58-29-11-12-40(4)27(41(29,5)21-46)10-13-43(7)28(40)9-8-23-24-18-39(2,3)14-16-44(24,17-15-42(23,43)6)38(54)59-37-35(53)32(50)30(48)25(19-45)56-37/h8,21,24-37,45,48-53H,9-20H2,1-7H3
SMILES CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C=O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa cylindrica Ref.
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OrganismLuffa cylindrica
ReferenceRuzicka, L. et al., Helv. Chim. Acta, 1937, 20, 299-309

1951, 34, 2321-2328 (Gypsogenin, struct)