input word = C00024318

Metabolite InformationStructural formula
Name Raucaffriline
Formula C21H22N2O3
Mw 350.16304258
CAS RN 107585-43-3
C_ID C00024318 ,
InChIKey BERYBAUEDCRDKM-QDEBKDIKNA-N
InChICode InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17-,19+,20-,21+/m0/s1
SMILES c1ccc2c(c1)[C@@]13C(=N2)[C@H]2N4[C@@H](C1)[C@H]([C@@H](C2)/C(=C\C)/[C@@H]4O)[C@H]3OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia caffra Ref.
PlantaeApocynaceaeRauwolfia caffra Ref.
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