compound 0236121

Properties Image MNX_ID MNXM1193824 reference envipathM:...f2b58b25c31a formula C14H13NO8S global charge 0 mol weight 355.324 InChIKey XCMNETBGVJRSRW-UHFFFAOYSA-N InChI InChI=1S/C14H13NO8S/c16-6-1-2-23-14(21)11(3-6)24(22)15-12(19)7-4-9(17)10(18)5-8(7)13(15)20/h4-6,11,16-18H,1-3H2 SMILES O=C1OCCC(O)CC1S(=O)N1C(=O)C2=C(C=C(O)C(O)=C2)C1=O MNX internals InChI (mnx) InChI=1/C14H13NO8S/c16-6-1-2-23-14(21)11(3-6)24(22)15-12(19)7-4-9(17)10(18)5-8(7)13(15)20/h4-6,11,16-18H,1-3H2/t6?,11?,24? SMILES (mnx) [CH2:1]1[CH2:2][O:23][C:14](=[O:21])[CH:11]([S:24]([N:15]2[C:12](=[O:19])[C:7]3=[CH:4][C:9]([OH:17])=[C:10]([OH:18])[CH:5]=[C:8]3[C:13]2=[O:20])=[O:22])[CH2:3][CH:6]1[OH:16]

Parent-child relations graph

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