7-(methylsulfinyl)heptyl-glucosinolate

Chemical Formula:

C₁₅H₂₈NO₁₀S₃

Molecular Weight:

478.567 Daltons

Monoisotopic Mass:

479.09535822710006 Daltons

SMILES:

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

InChI:

1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/p-1/b16-11+/t10-,12-,13+,14-,15+,28?/m1/s1

InChIKey:

LQZALQLZOQQFGM-CMMZSJJMSA-M

Synonyms

glucoibarin

Databases

MetaCyc: CPDQT-295

PubChem (CID): 44237203

KNApSAcK: C00007352

Seed: cpd26626

ChEBI: 132553

MetaNetX: MNXM15054