input word = C00039592

Metabolite InformationStructural formula
Name Kopsofinone
(+)-Kopsofinone
Formula C22H22N2O6
Mw 410.14778645
CAS RN 1005004-51-2
C_ID C00039592 ,
InChIKey HDLTVMFXZCHWIB-PFCXTWECNA-N
InChICode InChI=1S/C22H22N2O6/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/h2-5,16,23,27H,6-11H2,1H3/t16-,19-,20+,21-,22+/m0/s1
SMILES [C@]123c4c(N[C@]51CC[C@@]1([C@@H]2N(CC=C1)CC3)C(=O)[C@@]5(O)C(=O)OC)c1c(cc4)OCO1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
zoom in