staphylopine
Chemical Formula:
C13H19N4O6
Molecular Weight:
327.316 Daltons
Monoisotopic Mass:
330.1539344596 Daltons
SMILES:
CC([N+]C(C([O-])=O)CC[N+]C(C([O-])=O)CC1(N=CNC=1))C([O-])=O
InChI:
1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/p-1/t7?,9-,10+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-21428
ChEBI:
141669
PubChem (CID):
134716624