input word = C00057304

Metabolite InformationStructural formula
Name Schidigerasaponin C2
Formula C39H62O14
Mw 754.41395669
CAS RN 266997-36-8
C_ID C00057304
InChIKey AQYRNJPPAIKAIO-UUTXUEGQSA-N
InChICode InChI=1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-25(53-39)12-22-20-6-5-19-11-24(23(42)13-38(19,4)21(20)8-9-37(22,28)3)49-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)26(14-40)50-35/h18-36,40-47H,1,5-16H2,2-4H3/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(CC1)CO[C@]21O[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@]6([H])C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)C[C@]6(C)[C@@]5([H])CC[C@]4(C)[C@@]3([H])[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeYucca schidigera Ref.
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