4-benzoyloxybutylglucosinolate
Chemical Formula:
C18H24NO11S2
Molecular Weight:
494.508 Daltons
Monoisotopic Mass:
495.08690203080005 Daltons
SMILES:
C(OC(C1(C=CC=CC=1))=O)CCCC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)
InChI:
1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/p-1/b19-13+/t12-,14-,15+,16-,18+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12420
PubChem (CID):
46173484
MetaNetX:
MNXM14719