8-(methylsulfinyl)octyl-glucosinolate

Chemical Formula:

C₁₆H₃₀NO₁₀S₃

Molecular Weight:

492.594 Daltons

Monoisotopic Mass:

493.1110082913 Daltons

SMILES:

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

InChI:

1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/p-1/b17-12+/t11-,13-,14+,15-,16+,29?/m1/s1

InChIKey:

GPMDJOOLATZDQL-SGBLMZTFSA-M

Synonyms

glucohirsutin

Databases

MetaCyc: CPDQT-299

PubChem (CID): 44237257

KNApSAcK: C00007355

MetaNetX: MNXM15087