input word = C00037823

Metabolite InformationStructural formula
Name Sinalbin A
Formula C12H12N2O2S2
Mw 280.0340191
CAS RN 326473-29-4
C_ID C00037823 ,
InChIKey IVCVQRJWYKCARE-UHFFFAOYNA-N
InChICode InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3/t18-/m1/s1
SMILES c12c(c3c(n1OC)SC(=NC3)[S@](=O)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeSinapis alba Ref.
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