input word = C00053345

Metabolite InformationStructural formula
Name Isoalliin
Formula C6H11NO3S
Mw 177.04596396
CAS RN 16718-23-3
C_ID C00053345
InChIKey OKYHUOHBRKWCQJ-UUEXCLNXSA-N
InChICode InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11-/m0/s1
SMILES C/C=C/[S@](=O)C[C@H](N)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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