input word = C00031383

Metabolite InformationStructural formula
Name Sinapic acid ethyl ester
Formula C13H16O5
Mw 252.09977362
CAS RN 69113-98-0
C_ID C00031383 ,
InChIKey DMQNLOWHFHPWEA-AATRIKPKSA-N
InChICode InChI=1S/C13H16O5/c1-4-18-12(14)6-5-9-7-10(16-2)13(15)11(8-9)17-3/h5-8,15H,4H2,1-3H3/b6-5+
SMILES CCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeDescurainia sophia Ref.
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