input word = C00056662

Metabolite InformationStructural formula
Name 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone
Zingerone
Formula C11H14O3
Mw 194.09429431
CAS RN 122-48-5
C_ID C00056662
InChIKey OJYLAHXKWMRDGS-UHFFFAOYSA-N
InChICode InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3
SMILES COc1cc(CCC(C)=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
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OrganismZingiber officinale
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 2, 800A (nmr)