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 C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@]1([C@H](C3)O[C@]3([C@H]1C)OC[C@H](CC3)C)O)C)CC[C@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsparagaceaeAsparagus oligoclonos Ref.
zoom in