compound 0226123

Properties Image MNX_ID MNXM1180086 reference envipathM:...56e51cbad726 formula C13H10O9 global charge -2 mol weight 310.214 InChIKey WNAWPXNYOBVKEW-XMWUUPCFSA-L InChI InChI=1S/C13H12O9/c14-7(12(19)20)2-1-5-6(9(16)4-8(5)15)3-10(17)11(18)13(21)22/h1-3,10-11,14,17-18H,4H2,(H,19,20)(H,21,22)/p-2/b5-1-,6-3-,7-2+ SMILES O=C1CC(=O)C(=C\C(O)C(O)C(=O)[O-])/C1=C/C=C(/O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H12O9/c14-7(12(19)20)2-1-5-6(9(16)4-8(5)15)3-10(17)11(18)13(21)22/h1-3,10-11,14,17-18H,4H2,(H,19,20)(H,21,22)/b5-1-,6-3-,7-2+/t10?,11? SMILES (mnx) [CH:1](/[CH:2]=[C:7](\[C:12](=[O:19])[OH:20])[OH:14])=[C:5]1[C:6](=[CH:3]\[CH:10]([CH:11]([C:13](=[O:21])[OH:22])[OH:18])[OH:17])\[C:9](=[O:16])[CH2:4][C:8]\1=[O:15]

Parent-child relations graph

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