input word = C00052254

Metabolite InformationStructural formula
Name Cuspareine
Formula C20H25NO2
Mw 311.18852905
CAS RN 442-33-1
C_ID C00052254
InChIKey MBIROIXKTFTFJX-KRWDZBQOSA-N
InChICode InChI=1S/C20H25NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-7,9,13-14,17H,8,10-12H2,1-3H3/t17-/m0/s1
SMILES COc1ccc(CC[C@H]2CCc3ccccc3N2C)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCusparia trifoliata Ref.
PlantaeRutaceaeGalipea officinalis Ref.
--Angostura trifoliata Ref.
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