input word = C00027096

Metabolite InformationStructural formula
Name Volkensine
Formula C22H26N2O5
Mw 398.18417196
CAS RN 74991-69-8
C_ID C00027096 ,
InChIKey CRKDVBVOAIRDNW-FXRZODOVNA-N
InChICode InChI=1S/C22H26N2O5/c1-5-11-10-24-17-6-12(11)19(20(25)28-4)21-9-18(24)29-22(17,21)23-14-8-16(27-3)15(26-2)7-13(14)21/h5,7-8,12,17-19,23H,6,9-10H2,1-4H3/b11-5-/t12-,17-,18-,19+,21-,22-/m0/s1
SMILES C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N[C@]4(O3)[C@@H]2C[C@@H]1C5C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
PlantaeApocynaceaeRauwolfia volkensii Ref.
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