shinorine
Chemical Formula:
C13H18N2O8
Molecular Weight:
330.294 Daltons
Monoisotopic Mass:
332.1219656292 Daltons
SMILES:
COC1(=C(NCC([O-])=O)CC(CO)(O)CC(=NC(C([O-])=O)CO)1)
InChI:
1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/p-2/b15-8+/t9-,13-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18778
PubChem (CID):
122706102
ChEBI:
131712
MetaNetX:
MNXM165151