input word = C00042628

Metabolite InformationStructural formula
Name Isoasarone
Formula C12H16O3
Mw 208.10994438
CAS RN 5353-15-1
C_ID C00042628 ,
InChIKey AUNAUZZQBAIQFJ-UHFFFAOYSA-N
InChICode InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
SMILES c1(c(cc(c(c1)CC=C)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaePiperaceaePiper marginatum Ref.
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