input word = C00061075

Metabolite InformationStructural formula
Name Guaiacylacetone
Formula C10H12O3
Mw 180.07864425
CAS RN 2503-46-0
C_ID C00061075
InChIKey LFVCJQWZGDLHSD-UHFFFAOYSA-N
InChICode InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
SMILES COc1cc(CC(C)=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePicea abies Ref.
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