input word = C00063693

Metabolite InformationStructural formula
Name Shatavaroside A
Formula C44H72O16
Mw 856.48203625
CAS RN 1191075-51-0
C_ID C00063693
InChIKey IQBHARDQXOLZQB-JBMRQXFKSA-N
InChICode InChI=1S/C44H72O16/c1-19-8-13-44(55-16-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)57-41-38(59-40-36(51)32(47)27(45)17-53-40)35(50)33(48)29(58-41)18-54-39-37(52)34(49)31(46)21(3)56-39/h19-41,45-52H,6-18H2,1-5H3/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-,44+/m0/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6OC6OCC(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus racemosus Ref.
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