input word = C00027592

Metabolite InformationStructural formula
Name Setigerine
Formula C21H23NO5
Mw 369.15762285
CAS RN 180386-76-9
C_ID C00027592 ,
InChIKey MNBJQMJWRBOBEX-UHFFFAOYNA-N
InChICode InChI=1S/C21H23NO5/c1-23-16-7-6-14(11-17(16)24-2)21(27-5)20-15-12-19(26-4)18(25-3)10-13(15)8-9-22-20/h6-12,21H,1-5H3/t21-/m1/s1
SMILES COc1ccc(C(OC)c2nccc3cc(OC)c(OC)cc23)cc1OC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver setigerum Ref.
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