input word = C00001336

Metabolite InformationStructural formula
Name Alliin
Formula C6H11NO3S
Mw 177.04596396
CAS RN 556-27-4
C_ID C00001336 ,
InChIKey XUHLIQGRKRUKPH-SVRVQNHINA-N
InChICode InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1
SMILES [S@@](=O)(C[C@@H](C(=O)O)N)CC=C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAlliaceaeAllium obliquum Ref.
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAlliaceaeAllium Sativum Ref.
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OrganismAllium cepa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter10