input word = C00063586

Metabolite InformationStructural formula
Name Aspafilioside E
Formula C43H70O17
Mw 858.46130081
CAS RN 1006878-70-1
C_ID C00063586
InChIKey PADWOFWHQLFICG-MSWCMQDDSA-N
InChICode InChI=1S/C43H70O17/c1-19-7-12-42(56-15-19)20(2)43(52)29(60-42)14-25-23-6-5-21-13-22(8-10-40(21,3)24(23)9-11-41(25,43)4)57-39-35(51)32(48)36(59-38-34(50)31(47)27(45)17-54-38)28(58-39)18-55-37-33(49)30(46)26(44)16-53-37/h19-39,44-52H,5-18H2,1-4H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus filicinus Ref.
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