input word = C00056866

Metabolite InformationStructural formula
Name Sarsasaponin O
Formula C41H66O14
Mw 782.44525682
CAS RN 1137515-79-7
C_ID C00056866
InChIKey SWIFMWQWVQDARO-ZVPGIHCRSA-N
InChICode InChI=1S/C41H66O14/c1-19-8-13-41(50-17-19)20(2)30-27(55-41)15-26-24-7-6-22-14-23(9-11-39(22,4)25(24)10-12-40(26,30)5)51-38-36(34(47)32(45)29(53-38)18-49-21(3)43)54-37-35(48)33(46)31(44)28(16-42)52-37/h19-20,22-38,42,44-48H,6-18H2,1-5H3/t19-,20-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,38+,39-,40-,41+/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H](C[C@@H]43)O[C@]3(CC[C@H](C)CO3)[C@H]5C)C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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