input word = C00052063

Metabolite InformationStructural formula
Name (-)-Margrapine B
Formula C22H25NO7
Mw 415.16310216
CAS RN 185417-69-0
C_ID C00052063
InChIKey IPKWOZPFADULKT-UHFFFAOYSA-N
InChICode InChI=1S/C22H25NO7/c1-22(2)21(30-22)19(26)15-13(28-5)9-11(24)14-17(15)23(3)16-10(18(14)25)7-8-12(27-4)20(16)29-6/h7-9,19,21,24,26H,1-6H3
SMILES COc1ccc2c(=O)c3c(O)cc(OC)c(C(O)C4OC4(C)C)c3n(C)c2c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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