input word = C00040614

Metabolite InformationStructural formula
Name Valencic acid
Formula C12H14O3
Mw 206.09429431
CAS RN 28090-15-5
C_ID C00040614 ,
InChIKey KLZJDQVTNOMAKU-UHFFFAOYSA-N
InChICode InChI=1S/C12H14O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)
SMILES CC(C)=CCOc1ccc(C(=O)O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum wutaiense Ref.
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