input word = C00060742

Metabolite InformationStructural formula
Name Methyl sinapate
Formula C12H14O5
Mw 238.08412356
CAS RN 20733-94-2
C_ID C00060742
InChIKey JHLPYWLKSLVYOI-SNAWJCMRSA-N
InChICode InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
SMILES COC(=O)C=Cc1cc(OC)c(O)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismRaphanus sativus
Referencehttps://doi.org/10.1021/jf0346206