compound 0076815

Properties Image MNX_ID MNXM1187758 reference envipathM:...29cffe61e0f0 formula C14H11NO8 global charge 0 mol weight 321.241 InChIKey GDNMYGKKCKQESP-UHFFFAOYSA-N InChI InChI=1S/C14H11NO8/c16-4-15-6-2-1-5(11(20)12(6)21)10(19)9-7(17)3-8(18)13(22)14(9)23/h1-3,10,17-23H SMILES O=C=NC1=CC=C(C(O)C2=C(O)C=C(O)C(O)=C2O)C(O)=C1O MNX internals InChI (mnx) InChI=1/C14H11NO8/c16-4-15-6-2-1-5(11(20)12(6)21)10(19)9-7(17)3-8(18)13(22)14(9)23/h1-3,10,17-23H/t10? SMILES (mnx) [CH:1]1=[CH:2][C:6]([N:15]=[C:4]=[O:16])=[C:12]([OH:21])[C:11]([OH:20])=[C:5]1[CH:10]([C:9]1=[C:14]([OH:23])[C:13]([OH:22])=[C:8]([OH:18])[CH:3]=[C:7]1[OH:17])[OH:19]

Parent-child relations graph

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