7-(methylsulfanyl)heptyl-desulfoglucosinolate

Chemical Formula:

C₁₅H₂₉NO₆S₂

Molecular Weight:

383.517 Daltons

Monoisotopic Mass:

383.1436290487 Daltons

SMILES:

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

InChI:

1S/C15H29NO6S2/c1-23-8-6-4-2-3-5-7-11(16-21)24-15-14(20)13(19)12(18)10(9-17)22-15/h10,12-15,17-21H,2-9H2,1H3/b16-11+/t10-,12-,13+,14-,15+/m1/s1

InChIKey:

HRWHFIDSPSFJJQ-MFIRQCQASA-N

Synonyms

Databases

MetaCyc: CPDQT-418

PubChem (CID): 90657713

RefMet: 7-Methylthioheptyl-desulfoglucosinolate

Seed: cpd26642

MetaNetX: MNXM10427