input word = C00063700

Metabolite InformationStructural formula
Name Hyoscyamal
Formula C20H18O6
Mw 354.11033831
CAS RN 1199225-19-8
C_ID C00063700
InChIKey WMSOKIAFJYVUKN-HMSPERNYSA-N
InChICode InChI=1S/C20H18O6/c1-23-18-8-12(3-2-6-21)7-14-15(10-22)19(26-20(14)18)13-4-5-16-17(9-13)25-11-24-16/h2-9,15,19,22H,10-11H2,1H3/b3-2+/t15-,19+/m0/s1
SMILES COc1cc(C=CC=O)cc2c1OC(c1ccc3c(c1)OCO3)C2CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeHyoscyamus niger Ref.
zoom in