input word = C00053947

Metabolite InformationStructural formula
Name Asparagoside D
Formula C45H74O18
Mw 902.48751556
CAS RN 60267-24-5
C_ID C00053947
InChIKey DEXBUPZUMRUNGB-UHFFFAOYSA-N
InChICode InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-37(55)39(62-41-36(54)34(52)32(50)28(16-47)59-41)38(29(17-48)60-42)61-40-35(53)33(51)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3
SMILES CC1(CC2)C(CCC3C1CCC4(C)C5C(OC6(OCC(C)CC6)C5C)CC34)CC2OC7C(O)C(OC8OC(CO)C(O)C(O)C8O)C(OC9OC(CO)C(O)C(O)C9O)C(CO)O7
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)