compound 0073634

Properties Image MNX_ID MNXM1189447 reference envipathM:...63fc12b5b47b formula C14H13NO7 global charge 0 mol weight 307.258 InChIKey ATTROVXPGCSSFO-UHFFFAOYSA-N InChI InChI=1S/C14H13NO7/c16-6-15-8-3-1-7(2-4-8)11(19)14-13(21)12(20)9(17)5-10(18)22-14/h1-5,11-14,17,19-21H SMILES O=C=NC1=CC=C(C(O)C2OC(=O)C=C(O)C(O)C2O)C=C1 MNX internals InChI (mnx) InChI=1/C14H13NO7/c16-6-15-8-3-1-7(2-4-8)11(19)14-13(21)12(20)9(17)5-10(18)22-14/h1-5,11-14,17,19-21H/t11?,12?,13?,14? SMILES (mnx) [CH:1]1=[CH:3][C:8]([N:15]=[C:6]=[O:16])=[CH:4][CH:2]=[C:7]1[CH:11]([CH:14]1[CH:13]([OH:21])[CH:12]([OH:20])[C:9]([OH:17])=[CH:5][C:10](=[O:18])[O:22]1)[OH:19]

Parent-child relations graph

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