class Information
charge
0
formula
C8H12N2O7
has_dbxref
- HMDB:HMDB0028749
- Reaxys:1729337
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)/t3-,4-/m0/s1
inchikey
FRYULLIZUDQONW-IMJSIDKUSA-N
in_subset
mass
248.19010
monoisotopicmass
248.06445
smiles
N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O