glucoiberin

Chemical Formula:

C₁₁H₂₀NO₁₀S₃

Molecular Weight:

422.46 Daltons

Monoisotopic Mass:

423.03275797030005 Daltons

SMILES:

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

InChI:

1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/b12-7+/t6-,8-,9+,10-,11+,24?/m1/s1

InChIKey:

PHYYADMVYQURSX-WWFIZPDBSA-M

Synonyms

3-(methylsulfinyl)propyl-glucosinolate

Databases

MetaCyc: 3-METHYLSULFINYLPROPYL-GLUCOSINOLATE

HMDB: HMDB38406

ChemSpider: 7827544

ChEBI: 5406

PubChem (CID): 9548621

KEGG: C08411

KNApSAcK: C00007343

Seed: cpd05323

MetaNetX: MNXM8655