compound 0235709

Properties Image MNX_ID MNXM1196395 reference envipathM:...04d0f6c40cf7 formula C14H14NO8S global charge -1 mol weight 356.332 InChIKey VSKJLIMCLGBZDZ-WAYWQWQTSA-M InChI InChI=1S/C14H15NO8S/c16-8-3-1-2-4-10(8)24(23)15-12(19)7(11(18)13(15)20)5-6-9(17)14(21)22/h5-8,10,16H,1-4H2,(H,21,22)/p-1/b6-5- SMILES O=C([O-])C(=O)/C=C\C1C(=O)C(=O)N(S(=O)C2CCCCC2O)C1=O MNX internals InChI (mnx) InChI=1/C14H15NO8S/c16-8-3-1-2-4-10(8)24(23)15-12(19)7(11(18)13(15)20)5-6-9(17)14(21)22/h5-8,10,16H,1-4H2,(H,21,22)/b6-5-/t7?,8?,10?,24? SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:10]([S:24]([N:15]2[C:12](=[O:19])[CH:7](/[CH:5]=[CH:6]\[C:9]([C:14]([OH:21])=[O:22])=[O:17])[C:11](=[O:18])[C:13]2=[O:20])=[O:23])[CH:8]([OH:16])[CH2:3]1

Parent-child relations graph

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