compound 0073708

Properties Image MNX_ID MNXM1185497 reference envipathM:...ef81936238b9 formula C13H13NO6 global charge 0 mol weight 279.248 InChIKey VEAFLKWRRXCDOQ-UHFFFAOYSA-N InChI InChI=1S/C13H13NO6/c14-11-10(18)3-6(12(19)13(11)20)1-5-2-8(16)9(17)4-7(5)15/h2-4,15-20H,1,14H2 SMILES NC1=C(O)C(O)=C(CC2=C(O)C=C(O)C(O)=C2)C=C1O MNX internals InChI (mnx) InChI=1/C13H13NO6/c14-11-10(18)3-6(12(19)13(11)20)1-5-2-8(16)9(17)4-7(5)15/h2-4,15-20H,1,14H2 SMILES (mnx) [CH2:1]([C:5]1=[CH:2][C:8]([OH:16])=[C:9]([OH:17])[CH:4]=[C:7]1[OH:15])[C:6]1=[CH:3][C:10]([OH:18])=[C:11]([NH2:14])[C:13]([OH:20])=[C:12]1[OH:19]

Parent-child relations graph

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