input word = C00052062

Metabolite InformationStructural formula
Name (-)-Margrapine A
Formula C21H23NO7
Mw 401.1474521
CAS RN 185417-68-9
C_ID C00052062
InChIKey LROWEGBUANNUOY-UHFFFAOYSA-N
InChICode InChI=1S/C21H23NO7/c1-21(2)20(29-21)18(26)14-12(27-4)8-11(24)13-16(14)22(3)15-9(17(13)25)6-7-10(23)19(15)28-5/h6-8,18,20,23-24,26H,1-5H3
SMILES COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1C(O)C1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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