input word = C00002734

Metabolite InformationStructural formula
Name Diferulic acid
Formula C20H18O8
Mw 386.10016755
CAS RN 436-96-4
C_ID C00002734 ,
InChIKey LBQZVWQOPFFQJI-GGWOSOGESA-N
InChICode InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+
SMILES COc1cc(/C=C/C(=O)O)cc(-c2cc(/C=C/C(=O)O)cc(OC)c2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeLolium multiflorum Ref.
PlantaePoaceaeTriticum aestivum Ref.
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OrganismTriticum aestivum
ReferenceStracke, B. A. et al., J. Agric. Food Chem., 57, (2009), 10116-10121.