input word = C00055202

Metabolite InformationStructural formula
Name Boschniakinic acid
Formula C10H11NO2
Mw 177.0789786
CAS RN 21857-97-6
C_ID C00055202
InChIKey RLNQBGQGMYNOCX-ZCFIWIBFSA-N
InChICode InChI=1S/C10H11NO2/c1-6-2-3-7-8(6)4-11-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)/t6-/m1/s1
SMILES C[C@@H]1CCc2c(C(=O)O)cncc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePlantago psyllium Ref.
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OrganismPlantago psyllium
ReferenceSakan, T. et al., Tetrahedron, 1967, 23, 4635-4652 (Boschniakine, Boschniakinic acid, uv, ir, synth, struct)