compound 0074388

Properties Image MNX_ID MNXM1180929 reference envipathM:...9bf616aebfd9 formula C14H12NO7 global charge -1 mol weight 306.25 InChIKey JDKRMZOHAYVHST-UHFFFAOYSA-M InChI InChI=1S/C14H13NO7/c16-9-8(10(17)12(19)13(20)11(9)18)5-6-1-3-7(4-2-6)15-14(21)22/h1-4,8,11,15,17-19H,5H2,(H,21,22)/p-1 SMILES O=C([O-])NC1=CC=C(CC2C(=O)C(O)C(=O)C(O)=C2O)C=C1 MNX internals InChI (mnx) InChI=1/C14H13NO7/c16-9-8(10(17)12(19)13(20)11(9)18)5-6-1-3-7(4-2-6)15-14(21)22/h1-4,8,11,15,17-19H,5H2,(H,21,22)/t8?,11? SMILES (mnx) [CH:1]1=[CH:3][C:7]([NH:15][C:14](=[O:21])[OH:22])=[CH:4][CH:2]=[C:6]1[CH2:5][CH:8]1[C:9](=[O:16])[CH:11]([OH:18])[C:13](=[O:20])[C:12]([OH:19])=[C:10]1[OH:17]

Parent-child relations graph

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