desulfoglucotropaeolin
Chemical Formula:
C14H19NO6S
Molecular Weight:
329.367 Daltons
Monoisotopic Mass:
329.0933080377 Daltons
SMILES:
C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NO)O2)
InChI:
1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1
InChIKey:
Databases
MetaCyc:
BENZYL-DESULFOGLUCOSINOLATE
ChEBI:
136422
PubChem (CID):
11953793
ChemSpider:
10128094
KEGG:
C01069
RefMet:
Desulfoglucotropeolin
MetaNetX:
MNXM2115