input word = C00063027

Metabolite InformationStructural formula
Name Coniferyl acetate
Formula C12H14O4
Mw 222.08920894
CAS RN 79440-81-6
C_ID C00063027
InChIKey XLZFUNZRKIQHOL-UHFFFAOYSA-N
InChICode InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3;InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+
SMILES COc1cc(C=CCOC(C)=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
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OrganismDaucus carota
Referencehttps://doi.org/10.1016/j.phytochem.2018.12.020