5-(methylsulfanyl)pentyl-desulfoglucosinolate

Chemical Formula:

C₁₃H₂₅NO₆S₂

Molecular Weight:

355.464 Daltons

Monoisotopic Mass:

355.1123289203 Daltons

SMILES:

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

InChI:

1S/C13H25NO6S2/c1-21-6-4-2-3-5-9(14-19)22-13-12(18)11(17)10(16)8(7-15)20-13/h8,10-13,15-19H,2-7H2,1H3/b14-9+/t8-,10-,11+,12-,13+/m1/s1

InChIKey:

HKIBRYCZLMJRFT-KHXSHCKASA-N

Synonyms

Databases

MetaCyc: CPDQT-285

PubChem (CID): 44237392

KNApSAcK: C00007624

Seed: cpd26624

MetaNetX: MNXM10336