desulfoglucobrassicin
Chemical Formula:
C16H20N2O6S
Molecular Weight:
368.404 Daltons
Monoisotopic Mass:
368.10420707500003 Daltons
SMILES:
C2(=C(C1(C=CC=CC=1N2))CC(=NO)SC3(OC(CO)C(O)C(O)C(O)3))
InChI:
1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12+/t11-,13-,14+,15-,16+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-1862
PubChem (CID):
14122903
KEGG:
C16517
Seed:
cpd16333
MetaNetX:
MNXM5184
ChEBI:
80545