6-(methylsulfanyl)hexyl-glucosinolate

Chemical Formula:

C₁₄H₂₆NO₉S₃

Molecular Weight:

448.541 Daltons

Monoisotopic Mass:

449.0847935408 Daltons

SMILES:

CSCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)

InChI:

1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/p-1/b15-10+/t9-,11-,12+,13-,14+/m1/s1

InChIKey:

ZAKICGFSIJSCSF-BXLHIMNRSA-M

Synonyms

6-(methylthio)hexyl-glucosinolate

Databases

MetaCyc: CPDQT-420

PubChem (CID): 90657148

HMDB: HMDB38409

MetaNetX: MNXM55140