compound 0214726

Properties Image MNX_ID MNXM1176705 reference envipathM:...0d91bf273db6 formula C17H15NO8 global charge -2 mol weight 361.306 InChIKey XPNVGLMMWNELAZ-UHFFFAOYSA-L InChI InChI=1S/C17H17NO8/c1-9-11(6-17(24)26-8-16(22)23)12-5-10(25-2)3-4-13(12)18(9)14(19)7-15(20)21/h3-5H,6-8H2,1-2H3,(H,20,21)(H,22,23)/p-2 SMILES COC1=CC2=C(C=C1)N(C(=O)CC(=O)[O-])C(C)=C2CC(=O)OCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C17H17NO8/c1-9-11(6-17(24)26-8-16(22)23)12-5-10(25-2)3-4-13(12)18(9)14(19)7-15(20)21/h3-5H,6-8H2,1-2H3,(H,20,21)(H,22,23) SMILES (mnx) [CH3:1][C:9]1=[C:11]([CH2:6][C:17](=[O:24])[O:26][CH2:8][C:16](=[O:22])[OH:23])[C:12]2=[C:13]([CH:4]=[CH:3][C:10]([O:25][CH3:2])=[CH:5]2)[N:18]1[C:14]([CH2:7][C:15](=[O:20])[OH:21])=[O:19]

Parent-child relations graph

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