input word = C00054787

Metabolite InformationStructural formula
Name Allixin
Formula C12H18O4
Mw 226.12050906
CAS RN 125263-70-9
C_ID C00054787
InChIKey OHRPDNHRQKOLGN-UHFFFAOYSA-N
InChICode InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3
SMILES CCCCCc1oc(C)c(OC)c(=O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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OrganismAllium sativum
ReferenceKodera, Y. et al., Chem. Pharm. Bull., 1989, 37, 1656 (isol, struct)