input word = C00002777

Metabolite InformationStructural formula
Name Sinapine
Sinapoylcholine
Formula C16H24NO5
Mw 310.16544788
CAS RN 18696-26-9
C_ID C00002777 ,
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 c1(c(c(cc(c1)/C=C/C(=O)OCC[N+](C)(C)C)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica nigra Ref.
PlantaeCruciferaeCrambe asiatica Ref.
PlantaeCruciferaeDraba nemorosa Ref.
PlantaeCruciferaeLepidium sativum Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeCruciferaeSisymbrium columnae Ref.
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OrganismSinapis alba
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)