compound 0236068

Properties Image MNX_ID MNXM1189136 reference envipathM:...c941c2139cab formula C14H11NO8S global charge -2 mol weight 353.308 InChIKey XLMRFZYUZRKYKS-PLNGDYQASA-L InChI InChI=1S/C14H13NO8S/c16-9(17)5-4-8-11(14(21)22)13(20)15(12(8)19)24-7-2-1-3-10(18)23-6-7/h4-5,7H,1-3,6H2,(H,16,17)(H,21,22)/p-2/b5-4- SMILES O=C([O-])/C=C\C1=C(C(=O)[O-])C(=O)N(SC2CCCC(=O)OC2)C1=O MNX internals InChI (mnx) InChI=1/C14H13NO8S/c16-9(17)5-4-8-11(14(21)22)13(20)15(12(8)19)24-7-2-1-3-10(18)23-6-7/h4-5,7H,1-3,6H2,(H,16,17)(H,21,22)/b5-4-/t7? SMILES (mnx) [CH2:1]1[CH2:2][CH:7]([S:24][N:15]2[C:12](=[O:19])[C:8](/[CH:4]=[CH:5]\[C:9](=[O:16])[OH:17])=[C:11]([C:14](=[O:21])[OH:22])[C:13]2=[O:20])[CH2:6][O:23][C:10](=[O:18])[CH2:3]1

Parent-child relations graph

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