input word = C00064638

Metabolite InformationStructural formula
Name Filiasparoside A
Formula C43H68O17
Mw 856.44565075
CAS RN 948048-13-3
C_ID C00064638
InChIKey OUCDJSWSAODKNK-GDFVMKDDSA-N
InChICode InChI=1S/C43H68O17/c1-18-7-10-43(56-14-18)19(2)30-27(60-43)12-24-22-6-5-20-11-21(8-9-41(20,3)23(22)13-29(46)42(24,30)4)57-40-36(52)33(49)37(59-39-35(51)32(48)26(45)16-54-39)28(58-40)17-55-38-34(50)31(47)25(44)15-53-38/h18-28,30-40,44-45,47-52H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27+,28-,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)C4CC(=O)C3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus filicinus Ref.
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