3-hydroxypropyl-glucosinolate

Chemical Formula:

C₁₀H₁₈NO₁₀S₂

Molecular Weight:

376.373 Daltons

Monoisotopic Mass:

377.0450372161 Daltons

SMILES:

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

InChI:

1S/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(4-13)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)/p-1/b11-6+/t5-,7-,8+,9-,10+/m1/s1

InChIKey:

WIGYSAIZPJAWDF-PTGZALFTSA-M

Databases

MetaCyc: 3-HYDROXYPROPYL-GLUCOSINOLATE

PubChem (CID): 90658986

Seed: cpd22018

MetaNetX: MNXM8117