compound 0075578

Properties Image MNX_ID MNXM1174532 reference envipathM:...68a102675115 formula C12H12NO7 global charge -1 mol weight 282.228 InChIKey ZEMUOGMTMWFYEU-UHFFFAOYSA-M InChI InChI=1S/C12H13NO7/c13-6-2-1-5(7(14)8(6)15)3-12(4-20-12)10(17)9(16)11(18)19/h1-2,10,14-15,17H,3-4,13H2,(H,18,19)/p-1 SMILES NC1=CC=C(CC2(C(O)C(=O)C(=O)[O-])CO2)C(O)=C1O MNX internals InChI (mnx) InChI=1/C12H13NO7/c13-6-2-1-5(7(14)8(6)15)3-12(4-20-12)10(17)9(16)11(18)19/h1-2,10,14-15,17H,3-4,13H2,(H,18,19)/t10?,12? SMILES (mnx) [CH:1]1=[CH:2][C:6]([NH2:13])=[C:8]([OH:15])[C:7]([OH:14])=[C:5]1[CH2:3][C:12]1([CH:10]([C:9]([C:11]([OH:18])=[O:19])=[O:16])[OH:17])[CH2:4][O:20]1

Parent-child relations graph

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