input word = C00054107

Metabolite InformationStructural formula
Name Aldrithiol 2
Formula C10H8N2S2
Mw 220.01288973
CAS RN 2127-03-9
C_ID C00054107
InChIKey HAXFWIACAGNFHA-UHFFFAOYSA-N
InChICode InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
SMILES c1ccc(SSc2ccccn2)nc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
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OrganismAllium stipitatum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 760B

914D (ir)