input word = C00063877

Metabolite InformationStructural formula
Name Withametelin C
Formula C28H42O6
Mw 474.29813907
CAS RN 143868-94-4
C_ID C00063877
InChIKey WJIFGCPZQNCQCO-MCMIQRFLSA-N
InChICode InChI=1S/C28H42O6/c1-15-12-22(34-25(32)16(15)2)18(14-29)20-8-7-19-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h17-22,24,29,31,33H,5-14H2,1-4H3/t17-,18-,19-,20+,21-,22+,24+,26-,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CCCC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
zoom in