input word = C00050999

Metabolite InformationStructural formula
Name Isostrychnine
Formula C21H22N2O2
Mw 334.16812796
CAS RN 467-16-3
C_ID C00050999
InChIKey PNYOGGAOQVIZDM-XHGHAPFCNA-N
InChICode InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/b13-7-/t15-,18-,20-,21+/m0/s1
SMILES O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
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OrganismStrychnos nux-vomica
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Yang, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 739