input word = C00039588

Metabolite InformationStructural formula
Name Kopsine
Formula C22H24N2O4
Mw 380.17360727
CAS RN 559-48-8
C_ID C00039588 ,
InChIKey YROYAGSZNDUMIF-FJGZKNCCNA-N
InChICode InChI=1S/C22H24N2O4/c1-28-18(26)24-15-6-3-2-5-13(15)22-14-11-23-10-4-7-19(17(22)23)8-9-21(22,24)20(27,12-19)16(14)25/h2-3,5-6,14,17,27H,4,7-12H2,1H3/t14-,17+,19-,20-,21-,22+/m1/s1
SMILES [C@]123c4c(N([C@]51CC[C@]16[C@@H]2N(CCC1)C[C@@H]3C(=O)[C@@]5(C6)O)C(=O)OC)cccc4
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia dasyrachis Ref.
PlantaeApocynaceaeKopsia fruticosa Ref.
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OrganismKopsia fruticosa
ReferenceBattersby,J.Chem.Soc.,Chem.Commun.,(1966),786