compound 0235429

Properties Image MNX_ID MNXM1173917 reference envipathM:...510d003c9207 formula C14H12NO7S global charge -1 mol weight 338.317 InChIKey SQUZREHGXIILJY-NXZHAISVSA-M InChI InChI=1S/C14H13NO7S/c16-7-1-3-8(4-2-7)23-15-12(19)9(11(18)13(15)20)5-6-10(17)14(21)22/h5-6,8,17H,1-4H2,(H,21,22)/p-1/b9-5+,10-6+ SMILES O=C1CCC(SN2C(=O)C(=O)/C(=C\C=C(\O)C(=O)[O-])C2=O)CC1 MNX internals InChI (mnx) InChI=1/C14H13NO7S/c16-7-1-3-8(4-2-7)23-15-12(19)9(11(18)13(15)20)5-6-10(17)14(21)22/h5-6,8,17H,1-4H2,(H,21,22)/b9-5+,10-6+ SMILES (mnx) [CH2:1]1[CH2:3][CH:8]([S:23][N:15]2[C:12](=[O:19])/[C:9](=[CH:5]/[CH:6]=[C:10](\[C:14](=[O:21])[OH:22])[OH:17])[C:11](=[O:18])[C:13]2=[O:20])[CH2:4][CH2:2][C:7]1=[O:16]

Parent-child relations graph

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