input word = C00052176

Metabolite InformationStructural formula
Name Acetylcupreine
Formula C21H24N2O3
Mw 352.17869265
CAS RN 850089-79-1
C_ID C00052176
InChIKey SVIZQPKPKOEWBC-LATRNWQMSA-N
InChICode InChI=1S/C21H24N2O3/c1-3-14-12-23-9-7-15(14)10-20(23)21(25)17-6-8-22-19-5-4-16(11-18(17)19)26-13(2)24/h3-6,8,11,14-15,20-21,25H,1,7,9-10,12H2,2H3/t14-,15-,20-,21+/m0/s1
SMILES C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC(C)=O)cc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRemijia peruviana Ref.
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