input word = C00060166

Metabolite InformationStructural formula
Name 6,7,7a,8-Tetrahydro-9-hydroxy-4,10,11-trimethoxy-7,7-dimethyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolinium
Formula C22H26NO6
Mw 400.17601257
CAS RN 1605332-98-6
C_ID C00060166
InChIKey JNPKIPSJAQMPLB-UHFFFAOYSA-O
InChICode InChI=1S/C22H25NO6/c1-23(2)7-6-11-16-14(23)8-13-12(9-15(25-3)20(27-5)18(13)24)17(16)21-22(19(11)26-4)29-10-28-21/h9,14H,6-8,10H2,1-5H3/p+1
SMILES COc1cc2c(c(O)c1OC)CC1c3c(c(OC)c4c(c3-2)OCO4)CC[N+]1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia officinalis Ref.
zoom in