compound 0285621

Properties Image MNX_ID MNXM1185596 reference envipathM:...adda359c27c6 formula C14H13NO9S global charge 0 mol weight 371.323 InChIKey JGDYHSQOBJCBPW-UHFFFAOYSA-N InChI InChI=1S/C14H13NO9S/c1-25(23,24)8-2-3-9(10(6-8)15(21)22)13(19)14(20)11(17)4-7(16)5-12(14)18/h2-3,6-7,16,20H,4-5H2,1H3 SMILES CS(=O)(=O)C1=CC=C(C(=O)C2(O)C(=O)CC(O)CC2=O)C([N+](=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C14H13NO9S/c1-25(23,24)8-2-3-9(10(6-8)15(21)22)13(19)14(20)11(17)4-7(16)5-12(14)18/h2-3,6-7,16,20H,4-5H2,1H3/t7?,14? SMILES (mnx) [CH3:1][S:25]([C:8]1=[CH:6][C:10]([N+:15]([O-:21])=[O:22])=[C:9]([C:13]([C:14]2([OH:20])[C:11](=[O:17])[CH2:4][CH:7]([OH:16])[CH2:5][C:12]2=[O:18])=[O:19])[CH:3]=[CH:2]1)(=[O:23])=[O:24]

Parent-child relations graph

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