input word = C00063113

Metabolite InformationStructural formula
Name trans-Sinapoylcholine
Formula C16H24NO5
Mw 310.16544788
CAS RN 84123-22-8
C_ID C00063113
InChIKey HUJXHFRXWWGYQH-UHFFFAOYSA-O
InChICode InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
SMILES COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea Ref.
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OrganismBrassica oleracea
Referencehttps://doi.org/10.1021/jf902661g