compound 0236207

Properties Image MNX_ID MNXM1185949 reference envipathM:...f3cc196f5987 formula C13H16NO6S global charge -1 mol weight 314.339 InChIKey GHDRIUCXEKSKOH-UHFFFAOYSA-M InChI InChI=1S/C13H17NO6S/c15-7-1-3-8(4-2-7)21-14-12(19)9(5-6-10(16)17)11(18)13(14)20/h7-9,15H,1-6H2,(H,16,17)/p-1 SMILES O=C([O-])CCC1C(=O)C(=O)N(SC2CCC(O)CC2)C1=O MNX internals InChI (mnx) InChI=1/C13H17NO6S/c15-7-1-3-8(4-2-7)21-14-12(19)9(5-6-10(16)17)11(18)13(14)20/h7-9,15H,1-6H2,(H,16,17)/t7?,8?,9? SMILES (mnx) [CH2:1]1[CH2:3][CH:8]([S:21][N:14]2[C:12](=[O:19])[CH:9]([CH2:5][CH2:6][C:10](=[O:16])[OH:17])[C:11](=[O:18])[C:13]2=[O:20])[CH2:4][CH2:2][CH:7]1[OH:15]

Parent-child relations graph

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