compound 0235702

Properties Image MNX_ID MNXM1188628 reference envipathM:...6b0526ba3bc6 formula C14H13NO7S global charge 0 mol weight 339.325 InChIKey MVVFENMOHLXWDF-UHFFFAOYSA-N InChI InChI=1S/C14H13NO7S/c16-8-3-6-7(4-9(8)17)14(21)15(13(6)20)23-11-1-2-12(19)22-5-10(11)18/h3-4,10-11,16-18H,1-2,5H2 SMILES O=C1CCC(SN2C(=O)C3=C(C=C(O)C(O)=C3)C2=O)C(O)CO1 MNX internals InChI (mnx) InChI=1/C14H13NO7S/c16-8-3-6-7(4-9(8)17)14(21)15(13(6)20)23-11-1-2-12(19)22-5-10(11)18/h3-4,10-11,16-18H,1-2,5H2/t10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:12](=[O:19])[O:22][CH2:5][CH:10]([OH:18])[CH:11]1[S:23][N:15]1[C:13](=[O:20])[C:6]2=[CH:3][C:8]([OH:16])=[C:9]([OH:17])[CH:4]=[C:7]2[C:14]1=[O:21]

Parent-child relations graph

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