input word = C00033490

Metabolite InformationStructural formula
Name Withanoside II
(-)-Withanoside II
Formula C40H62O16
Mw 798.40378593
CAS RN 362472-79-5
C_ID C00033490 ,
InChIKey BXRJZGQBQZINGV-OAVOXVKTNA-N
InChICode InChI=1S/C40H62O16/c1-15-10-22(53-35(49)16(15)2)17(3)19-6-7-20-26-21(8-9-38(19,20)4)39(5)25(42)11-18(12-40(39,50)34-33(26)56-34)52-37-32(48)30(46)28(44)24(55-37)14-51-36-31(47)29(45)27(43)23(13-41)54-36/h17-34,36-37,41-48,50H,6-14H2,1-5H3/t17-,18-,19+,20-,21-,22+,23+,24+,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,37+,38+,39-,40-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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OrganismWithania somnifera
ReferenceZhao,Chem.Pharm.Bull.,50,(2002),760