cotinine-glucuronide
Chemical Formula:
C16H20N2O7
Molecular Weight:
352.343 Daltons
Monoisotopic Mass:
353.1348760392 Daltons
SMILES:
C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))
InChI:
1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-2747
PubChem (CID):
91820250
HMDB:
HMDB01013
Seed:
cpd24388
MetaNetX:
MNXM16856