input word = C00025124

Metabolite InformationStructural formula
Name Stephabenine
N,O-Dimethylstephine benzoate
Formula C27H29NO7
Mw 479.19440229
CAS RN 87853-56-3
C_ID C00025124 ,
InChIKey GFKGRMUQZCYFSG-BEIMVVOTNA-N
InChICode InChI=1S/C27H29NO7/c1-28-10-9-25-13-22(34-24(29)16-7-5-4-6-8-16)23(30-2)27(31-3)26(25,28)14-21(35-27)17-11-19-20(12-18(17)25)33-15-32-19/h4-8,11-12,21-23H,9-10,13-15H2,1-3H3/t21-,22-,23-,25-,26-,27-/m0/s1
SMILES CO[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@]23CCN(C)[C@@]24C[C@H](OC14OC)c1cc2c(cc13)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania japonica Miers Ref.
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OrganismStephania japonica Miers
ReferenceKondo,Chem.Pharm.Bull.,31,(1983),2574