compound 0074818

Properties Image MNX_ID MNXM1174641 reference envipathM:...676d066e36a3 formula C12H12NO6 global charge -1 mol weight 266.229 InChIKey GEGFEPQBCWSICF-UHFFFAOYSA-M InChI InChI=1S/C12H13NO6/c1-6(9(15)12(18)19)4-7-2-3-8(13-5-14)11(17)10(7)16/h2-3,6,9,15-17H,4H2,1H3,(H,18,19)/p-1 SMILES CC(CC1=CC=C(N=C=O)C(O)=C1O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H13NO6/c1-6(9(15)12(18)19)4-7-2-3-8(13-5-14)11(17)10(7)16/h2-3,6,9,15-17H,4H2,1H3,(H,18,19)/t6?,9? SMILES (mnx) [CH3:1][CH:6]([CH2:4][C:7]1=[C:10]([OH:16])[C:11]([OH:17])=[C:8]([N:13]=[C:5]=[O:14])[CH:3]=[CH:2]1)[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