compound 0236147

Properties Image MNX_ID MNXM1190655 reference envipathM:...06204ff32a23 formula C14H13NO8S global charge 0 mol weight 355.324 InChIKey QZKWRQGLBXGFGK-UHFFFAOYSA-N InChI InChI=1S/C14H13NO8S/c16-7-1-2-10(14(22)23-13(7)21)24-15-11(19)5-3-8(17)9(18)4-6(5)12(15)20/h3-4,7,10,13,16-18,21H,1-2H2 SMILES O=C1OC(O)C(O)CCC1SN1C(=O)C2=C(C=C(O)C(O)=C2)C1=O MNX internals InChI (mnx) InChI=1/C14H13NO8S/c16-7-1-2-10(14(22)23-13(7)21)24-15-11(19)5-3-8(17)9(18)4-6(5)12(15)20/h3-4,7,10,13,16-18,21H,1-2H2/t7?,10?,13? SMILES (mnx) [CH2:1]1[CH2:2][CH:10]([S:24][N:15]2[C:11](=[O:19])[C:5]3=[CH:3][C:8]([OH:17])=[C:9]([OH:18])[CH:4]=[C:6]3[C:12]2=[O:20])[C:14](=[O:22])[O:23][CH:13]([OH:21])[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