input word = C00053948

Metabolite InformationStructural formula
Name Asparagoside F
Formula C50H82O22
Mw 1034.52977431
CAS RN 60267-26-7
C_ID C00053948
InChIKey JGMVGSROWHLFSW-UHFFFAOYSA-N
InChICode InChI=1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-47-40(62)43(71-45-38(60)35(57)34(56)29(15-51)66-45)42(31(17-53)68-47)70-46-39(61)36(58)41(30(16-52)67-46)69-44-37(59)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3
SMILES CC1(CC2)C(CCC3C1CCC4(C)C5C(OC6(OCC(C)CC6)C5C)CC34)CC2OC7OC(CO)C(OC8OC(CO)C(OC9OCC(O)C(O)C9O)C(O)C8O)C(OC%10OC(CO)C(O)C(O)C%10O)C7O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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OrganismAsparagus officinalis
ReferenceAldrich Library of 13C and 1H FT NMR Spectra, 1992, 3, 564A (nmr)