input word = C00052506

Metabolite InformationStructural formula
Name Ajoene
(E)-Ajoene
Formula C9H14OS3
Mw 234.02067726
CAS RN 92285-01-3
C_ID C00052506
InChIKey IXELFRRANAOWSF-FNORWQNLSA-N
InChICode InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
SMILES C=CCS(C/C=C/SSCC=C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium Sativum Ref.
PlantaeAlliaceaeAllium sativum Ref.
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OrganismAllium sativum
ReferenceBlock, E. et al., JACS, 1984, 106, 8295-8296

1986, 108, 7045-7055 (synth, isol, E/Z-ajoene)