input word = C00062595

Metabolite InformationStructural formula
Name Choline hydrogen sulfate, 4-hydroxy-3,5-dimethoxycinnamate
Formula C16H25NO9S
Mw 407.12500214
CAS RN 6509-38-2
C_ID C00062595
InChIKey RQGZAGFHWUFMIQ-UHFFFAOYSA-N
InChICode InChI=1S/C16H23NO5.H2O4S/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5;1-5(2,3)4/h6-7,10-11H,8-9H2,1-5H3;(H2,1,2,3,4)
SMILES COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O.O=S(=O)([O-])O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
zoom in



OrganismCitrus limon
Referencehttps://doi.org/10.1021/jo01082a024