input word = C00051844

Metabolite InformationStructural formula
Name (13S,14R)-1-Hydroxy-13-O-acetyl-N-methylcanadine
Formula C23H26NO7+
Mw 428.17092719
CAS RN
C_ID C00051844
InChIKey
InChICode InChI=1S/C23H25NO7/c1-12(25)31-22-14-5-6-16(27-3)21(28-4)15(14)10-24(2)8-7-13-9-17-23(30-11-29-17)20(26)18(13)19(22)24/h5-6,9,19,22H,7-8,10-11H2,1-4H3/p+1/t19-,22+,24-/m1/s1
SMILES c12c(c(c3c(c1)CC[N@+]1([C@H]3[C@H](c3c(C1)c(c(cc3)OC)OC)OC(=O)C)C)O)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver somniferum Ref.
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