8-(methylsulfanyl)octyl-desulfoglucosinolate

Chemical Formula:

C₁₆H₃₁NO₆S₂

Molecular Weight:

397.544 Daltons

Monoisotopic Mass:

397.15927911290004 Daltons

SMILES:

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

InChI:

1S/C16H31NO6S2/c1-24-9-7-5-3-2-4-6-8-12(17-22)25-16-15(21)14(20)13(19)11(10-18)23-16/h11,13-16,18-22H,2-10H2,1H3/b17-12+/t11-,13-,14+,15-,16+/m1/s1

InChIKey:

JXHZTRXZIXRIDX-STPBKMPXSA-N

Synonyms

Databases

MetaCyc: CPDQT-419

PubChem (CID): 49859709

Seed: cpd26643

MetaNetX: MNXM10454