input word = C00033491

Metabolite InformationStructural formula
Name Withanoside III
(-)-Withanoside III
Formula C34H52O12
Mw 652.34587713
CAS RN 362472-80-8
C_ID C00033491 ,
InChIKey RRWWSMHWDKRGQC-SNBSLISYNA-N
InChICode InChI=1S/C34H52O12/c1-14-9-21(44-30(41)17(14)12-35)15(2)18-5-6-19-24-20(7-8-32(18,19)3)33(4)23(37)10-16(11-34(33,42)29-28(24)46-29)43-31-27(40)26(39)25(38)22(13-36)45-31/h15-16,18-29,31,35-40,42H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1
SMILES C1[C@@H](C[C@]2([C@]([C@H]1O)([C@@H]1[C@@H]([C@H]3[C@@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@H]1CC(=C(C(=O)O1)CO)C)C)C)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
zoom in