input word = C00042245

Metabolite InformationStructural formula
Name Aspaoligonin A
(-)-Aspaoligonin A
Sarsasapogenin M
Formula C39H64O14
Mw 756.42960675
CAS RN 852873-37-1
C_ID C00042245 ,
InChIKey FMWZYCJVASHAKM-BAGRRMEXNA-N
InChICode InChI=1S/C39H64O14/c1-18-7-12-38(48-17-18)19(2)39(47)27(53-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,39)4)49-35-33(31(45)29(43)26(16-41)51-35)52-34-32(46)30(44)28(42)25(15-40)50-34/h18-35,40-47H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsparagaceaeAsparagus oligoclonos Ref.
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