input word = C00053766

Metabolite InformationStructural formula
Name saphenic acid methyl ester
Formula C16H14N2O3
Mw 282.10044233
CAS RN 73634-72-7
C_ID C00053766
InChIKey CMJFOBNRYRSQGE-UHFFFAOYSA-N
InChICode InChI=1S/C16H14N2O3/c1-9(19)10-5-3-7-12-14(10)17-13-8-4-6-11(15(13)18-12)16(20)21-2/h3-9,19H,1-2H3
SMILES COC(=O)c1cccc2nc3c(C(C)O)cccc3nc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeTriticum aestivum Ref.
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OrganismTriticum aestivum
ReferenceLavergne, F. D. et al., Int. J. Mol. Sci., 19, (2018), 249.