input word = C00040654

Metabolite InformationStructural formula
Name Withangulatin C
(-)-Withangulatin C
Formula C29H42O9
Mw 534.28288294
CAS RN 946074-79-9
C_ID C00040654 ,
InChIKey HHRFLEWOTNKYIA-SWJYFRBJNA-N
InChICode InChI=1S/C29H42O9/c1-14-11-20(37-23(32)15(14)2)26(5,33)27(34)13-22(36-6)28(35)17-12-21-29(38-21)19(31)8-7-18(30)25(29,4)16(17)9-10-24(27,28)3/h16-17,19-22,31,33-35H,7-13H2,1-6H3/t16-,17+,19-,20+,21+,22-,24-,25-,26+,27-,28-,29+/m0/s1
SMILES CO[C@H]1C[C@@](O)([C@](C)(O)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]35C)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
zoom in