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 OC(C)C1=CC=CC(C1=N2)=NC3=C2C=CC=C3C(OC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeTriticum aestivum Ref.
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