input word = C00058145

Metabolite InformationStructural formula
Name Syringylglycerol beta-sinapyl ether
Formula C22H28O9
Mw 436.17333249
CAS RN 613683-98-0
C_ID C00058145
InChIKey KGKBPBGUUPLXPV-KPDZFXRVSA-N
InChICode InChI=1S/C22H28O9/c1-27-15-10-14(11-16(28-2)21(15)26)20(25)19(12-24)31-22-17(29-3)8-13(6-5-7-23)9-18(22)30-4/h5-6,8-11,19-20,23-26H,7,12H2,1-4H3/b6-5+/t19-,20+/m1/s1
SMILES COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica fruticulosa Ref.
zoom in