input word = C00039589

Metabolite InformationStructural formula
Name Kopsinicine
Formula C22H24N2O6
Mw 412.16343651
CAS RN 1005004-50-1
C_ID C00039589 ,
InChIKey ADLOIJBRZNBATQ-HZWOPCSBNA-N
InChICode InChI=1S/C22H24N2O6/c1-28-18(26)22(27)17(25)19-5-2-9-24-10-8-20(16(19)24)12-3-4-13-15(30-11-29-13)14(12)23-21(20,22)7-6-19/h2-5,16-17,23,25,27H,6-11H2,1H3/t16-,17+,19-,20+,21-,22+/m0/s1
SMILES [C@]123c4c(N[C@]51CC[C@@]1([C@@H]2N(CC=C1)CC3)[C@H]([C@@]5(O)C(=O)OC)O)c1c(cc4)OCO1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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