6-methylsulfinylhexyl-glucosinolate

Chemical Formula:

C₁₄H₂₆NO₁₀S₃

Molecular Weight:

464.54 Daltons

Monoisotopic Mass:

465.07970816290003 Daltons

SMILES:

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

InChI:

1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)/p-1/b15-10+/t9-,11-,12+,13-,14+,27?/m1/s1

InChIKey:

OOGAQHVYHLPICD-BDMQRFNXSA-M

Synonyms

glucohesperin
1-thio-1-[7-(methylsulfinyl)-N-(sulfooxy)heptanimidate]-β-D-glucopyranose
glucoalissin

Databases

MetaCyc: CPDQT-288

PubChem (CID): 90657835

KNApSAcK: C00007348

Seed: cpd26625

MetaNetX: MNXM14992