compound 0236205

Properties Image MNX_ID MNXM1188566 reference envipathM:...c3fe0553a797 formula C14H15NO9S global charge -2 mol weight 373.339 InChIKey PMWOBRZUDJHMFO-WAYWQWQTSA-L InChI InChI=1S/C14H17NO9S/c16-7-1-3-8(4-2-7)25(24)15-11(19)10(12(20)21)14(23,13(15)22)6-5-9(17)18/h5-8,10,16,23H,1-4H2,(H,17,18)(H,20,21)/p-2/b6-5- SMILES O=C([O-])/C=C\C1(O)C(=O)N(S(=O)C2CCC(O)CC2)C(=O)C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H17NO9S/c16-7-1-3-8(4-2-7)25(24)15-11(19)10(12(20)21)14(23,13(15)22)6-5-9(17)18/h5-8,10,16,23H,1-4H2,(H,17,18)(H,20,21)/b6-5-/t7?,8?,10?,14?,25? SMILES (mnx) [CH2:1]1[CH2:3][CH:8]([S:25]([N:15]2[C:11](=[O:19])[CH:10]([C:12](=[O:20])[OH:21])[C:14](/[CH:6]=[CH:5]\[C:9](=[O:17])[OH:18])([OH:23])[C:13]2=[O:22])=[O:24])[CH2:4][CH2:2][CH:7]1[OH:16]

Parent-child relations graph

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