input word = C00050855

Metabolite InformationStructural formula
Name Isoacoramone
Formula C12H16O4
Mw 224.104859
CAS RN 3904-18-5
C_ID C00050855
InChIKey KUQHFNICKXWOBZ-UHFFFAOYSA-N
InChICode InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
SMILES CCC(=O)c1cc(OC)c(OC)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcoraceaeAcorus calamus Ref.
PlantaeAcoraceaeAcorus tatrinowii Ref.
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OrganismAcorus calamus
ReferenceHardegger,E.et al.,Helv.Chim.Acta,47,(1964),1996-2017