input word = C00025770

Metabolite InformationStructural formula
Name Base TR 2
21-epivincamine
(+)-trans-Vincamine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 18374-18-0
C_ID C00025770 ,
InChIKey RXPRRQLKFXBCSJ-WHJGUBRCNA-N
InChICode InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20-,21-/m0/s1
SMILES CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]32
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana rigida (Miers) Leeuwenberg Ref.
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OrganismTabernaemontana rigida (Miers) Leeuwenberg
ReferenceCava,J.Org.Chem.,33,(1968),1055