input word = C00064606

Metabolite InformationStructural formula
Name 17beta-Hydroxywithanolide K
Formula C28H38O6
Mw 470.26683895
CAS RN 88904-17-0
C_ID C00064606
InChIKey HYSIDFWCYWFQMQ-MEZCUPPISA-N
InChICode InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6-7,9,19-20,22,31-33H,8,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28-/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5C=CCC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
zoom in