sinalbin
Chemical Formula:
C14H18NO10S2
Molecular Weight:
424.417 Daltons
Monoisotopic Mass:
425.0450372161 Daltons
SMILES:
C(O)C1(C(C(O)C(O)C(O1)SC(=NOS(=O)([O-])=O)CC2(=CC=C(O)C=C2))O)
InChI:
1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-20049
PubChem (CID):
6326026
ChEBI:
9151
KEGG:
C08426