compound 0235844

Properties Image MNX_ID MNXM1186343 reference envipathM:...db8899c9375e formula C13H18NO5S global charge -1 mol weight 300.356 InChIKey QXTWIHSGUIQYTE-UHFFFAOYSA-M InChI InChI=1S/C13H19NO5S/c15-10-8-13(19,7-6-11(16)17)12(18)14(10)20-9-4-2-1-3-5-9/h9,19H,1-8H2,(H,16,17)/p-1 SMILES O=C([O-])CCC1(O)CC(=O)N(SC2CCCCC2)C1=O MNX internals InChI (mnx) InChI=1/C13H19NO5S/c15-10-8-13(19,7-6-11(16)17)12(18)14(10)20-9-4-2-1-3-5-9/h9,19H,1-8H2,(H,16,17)/t13? SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:9]([S:20][N:14]2[C:10](=[O:15])[CH2:8][C:13]([CH2:7][CH2:6][C:11](=[O:16])[OH:17])([OH:19])[C:12]2=[O:18])[CH2:5][CH2:3]1

Parent-child relations graph

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