1-hydroxyglucobrassicin
Chemical Formula:
C16H19N2O10S2
Molecular Weight:
463.453 Daltons
Monoisotopic Mass:
464.05593625340003 Daltons
SMILES:
C2(=C(C1(C=CC=CC=1N(O)2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))
InChI:
1S/C16H20N2O10S2/c19-7-11-13(20)14(21)15(22)16(27-11)29-12(17-28-30(24,25)26)5-8-6-18(23)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-23H,5,7H2,(H,24,25,26)/p-1/b17-12+/t11-,13-,14+,15-,16+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-19470
PubChem (CID):
123131529
Seed:
cpd29049
MetaNetX:
MNXM164039