compound 0074803

Properties Image MNX_ID MNXM1181379 reference envipathM:...b70c19d48347 formula C12H12NO6 global charge -1 mol weight 266.229 InChIKey ADRRQWHBPLAPAS-UHFFFAOYSA-M InChI InChI=1S/C12H13NO6/c14-6-13-8-5-4-7(10(16)11(8)17)2-1-3-9(15)12(18)19/h4-5,9,15-17H,1-3H2,(H,18,19)/p-1 SMILES O=C=NC1=CC=C(CCCC(O)C(=O)[O-])C(O)=C1O MNX internals InChI (mnx) InChI=1/C12H13NO6/c14-6-13-8-5-4-7(10(16)11(8)17)2-1-3-9(15)12(18)19/h4-5,9,15-17H,1-3H2,(H,18,19)/t9? SMILES (mnx) [CH2:1]([CH2:2][C:7]1=[C:10]([OH:16])[C:11]([OH:17])=[C:8]([N:13]=[C:6]=[O:14])[CH:5]=[CH:4]1)[CH2:3][CH:9]([C:12](=[O:18])[OH:19])[OH:15]

Parent-child relations graph

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