compound 0072587

Properties Image MNX_ID MNXM1196614 reference envipathM:...6d558314e2f0 formula C15H11N2O7 global charge -1 mol weight 331.26 InChIKey LLBIDRXLLPSFSM-UHFFFAOYSA-M InChI InChI=1S/C15H12N2O7/c18-6-16-10-13(21)11(19)9(12(20)14(10)22)5-7-1-3-8(4-2-7)17-15(23)24/h1-4,17,19-22H,5H2,(H,23,24)/p-1 SMILES O=C=NC1=C(O)C(O)=C(CC2=CC=C(NC(=O)[O-])C=C2)C(O)=C1O MNX internals InChI (mnx) InChI=1/C15H12N2O7/c18-6-16-10-13(21)11(19)9(12(20)14(10)22)5-7-1-3-8(4-2-7)17-15(23)24/h1-4,17,19-22H,5H2,(H,23,24) SMILES (mnx) [CH:1]1=[CH:3][C:8]([NH:17][C:15](=[O:23])[OH:24])=[CH:4][CH:2]=[C:7]1[CH2:5][C:9]1=[C:11]([OH:19])[C:13]([OH:21])=[C:10]([N:16]=[C:6]=[O:18])[C:14]([OH:22])=[C:12]1[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0