input word = C00027077

Metabolite InformationStructural formula
Name Sitsirikine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 1245-00-7
C_ID C00027077 ,
InChIKey JGKCGXVOATXMRM-IYBGCKNFNA-N
InChICode InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13-,16+,17-,19-/m0/s1
SMILES C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2CC1[C@H](CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeApocynaceaeRauwolfia verticillata Ref.
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OrganismCatharanthus roseus
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)