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 [H][C@@]12C[C@@](O[C@@]3(OC[C@@H](C)CC3)[C@H]4C)([H])[C@@]4([H])[C@@]1(C)CC[C@@]5([H])[C@@]2([H])CC[C@@]6([H])C[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@H](O7)COC(C)=O)CC[C@]56C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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