input word = C00039586

Metabolite InformationStructural formula
Name Kopsimaline E
Formula C24H28N2O8
Mw 472.18456589
CAS RN 199981-81-2
C_ID C00039586 ,
InChIKey YYNNLSNHGLNXCW-RTFNXNESNA-N
InChICode InChI=1S/C24H28N2O8/c1-31-13-6-4-5-12-15(13)26(20(29)33-3)23-8-7-21(18(27)24(23,30)19(28)32-2)16-14(34-16)11-25-10-9-22(12,23)17(21)25/h4-6,14,16-18,27,30H,7-11H2,1-3H3/t14-,16-,17-,18+,21+,22+,23-,24+/m0/s1
SMILES [C@]123[C@]4(CC[C@@]5([C@@H]1N(C[C@H]1[C@@H]5O1)CC3)[C@H]([C@]4(C(=O)OC)O)O)N(c1c2cccc1OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia singapurensis Ref.
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OrganismKopsia singapurensis
ReferenceSubramaniam,J.Nat.Prod.,71,(2008),53