4-(methylsulfanyl)butyl-desulfoglucosinolate

Chemical Formula:

C₁₂H₂₃NO₆S₂

Molecular Weight:

341.437 Daltons

Monoisotopic Mass:

341.0966788561 Daltons

SMILES:

CSCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)

InChI:

1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+/t7-,9-,10+,11-,12+/m1/s1

InChIKey:

WILLOUKDISBKTQ-KALKGZTMSA-N

Synonyms

Databases

MetaCyc: CPDQT-416

ChEBI: 80986

PubChem (CID): 90658389

Seed: cpd17437

MetaNetX: MNXM6901

KEGG: C17248