input word = C00023370

Metabolite InformationStructural formula
Name Galeopsitrione
Formula C20H28O4
Mw 332.19875938
CAS RN 87440-59-3
C_ID C00023370 ,
InChIKey ZSPWLZZGIWIIDN-QNYSZJFKNA-N
InChICode InChI=1S/C20H28O4/c1-14(21)16(22)12-17-19(2,3)9-5-10-20(17,4)18(23)7-6-15-8-11-24-13-15/h8,11,13,17H,5-7,9-10,12H2,1-4H3/t17-,20-/m0/s1
SMILES C1CC([C@@H]([C@](C1)(C(=O)CCc1cocc1)C)CC(=O)C(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGaleopsis angustifolia Ref.
zoom in