compound 0236339

Properties Image MNX_ID MNXM1138933 reference envipathM:...ccb223f87fa8 formula C13H16NO7S global charge -1 mol weight 330.338 InChIKey OOVPHUZWIFOKIR-UHFFFAOYSA-M InChI InChI=1S/C13H17NO7S/c15-8-3-1-2-4-10(8)22(21)14-11(17)5-7(13(14)20)9(16)6-12(18)19/h5,8-10,15-16H,1-4,6H2,(H,18,19)/p-1 SMILES O=C([O-])CC(O)C1=CC(=O)N(S(=O)C2CCCCC2O)C1=O MNX internals InChI (mnx) InChI=1/C13H17NO7S/c15-8-3-1-2-4-10(8)22(21)14-11(17)5-7(13(14)20)9(16)6-12(18)19/h5,8-10,15-16H,1-4,6H2,(H,18,19)/t8?,9?,10?,22? SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:10]([S:22]([N:14]2[C:11](=[O:17])[CH:5]=[C:7]([CH:9]([CH2:6][C:12](=[O:18])[OH:19])[OH:16])[C:13]2=[O:20])=[O:21])[CH:8]([OH:15])[CH2:3]1

Parent-child relations graph

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