input word = C00036939

Metabolite InformationStructural formula
Name C-Profluorocurine
Formula C20H27N2O3
Mw 343.20216774
CAS RN 6822-67-9
C_ID C00036939 ,
InChIKey CCFNQFGWBKGYLQ-POTRHFQINA-N
InChICode InChI=1S/C20H27N2O3/c1-3-13-11-22(2)9-8-19(24)15-6-4-5-7-16(15)21-17(12-23)14(13)10-18(22)20(19,21)25/h3-7,14,17-18,23-25H,8-12H2,1-2H3/q+1/b13-3-/t14-,17-,18-,19-,20-,22-/m0/s1
SMILES C1[C@@H]2[N@@+]3(C/C(=C/C)/[C@H]1[C@@H](N1[C@]2([C@](CC3)(c2c1cccc2)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos guianensis Ref.
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