compound 0235900

Properties Image MNX_ID MNXM1187976 reference envipathM:...ca02112a3e44 formula C14H18NO7S global charge -1 mol weight 344.365 InChIKey KTMMSUHXEVATMV-UHFFFAOYSA-M InChI InChI=1S/C14H19NO7S/c16-7-2-1-3-8(6-7)23-15-12(19)9(11(18)13(15)20)4-5-10(17)14(21)22/h7-10,16-17H,1-6H2,(H,21,22)/p-1 SMILES O=C([O-])C(O)CCC1C(=O)C(=O)N(SC2CCCC(O)C2)C1=O MNX internals InChI (mnx) InChI=1/C14H19NO7S/c16-7-2-1-3-8(6-7)23-15-12(19)9(11(18)13(15)20)4-5-10(17)14(21)22/h7-10,16-17H,1-6H2,(H,21,22)/t7?,8?,9?,10? SMILES (mnx) [CH2:1]1[CH2:2][CH:7]([OH:16])[CH2:6][CH:8]([S:23][N:15]2[C:12](=[O:19])[CH:9]([CH2:4][CH2:5][CH:10]([C:14](=[O:21])[OH:22])[OH:17])[C:11](=[O:18])[C:13]2=[O:20])[CH2:3]1

Parent-child relations graph

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