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:
Synonyms
- 8-(methylthio)octyl-desulfoglucosinolate
Databases
MetaCyc:
CPDQT-419
PubChem (CID):
49859709
Seed:
cpd26643
MetaNetX:
MNXM10454