compound 0235692

Properties Image MNX_ID MNXM1171439 reference envipathM:...c2d592d95033 formula C14H15NO7S global charge -2 mol weight 341.341 InChIKey WAEFFRCQZZPDMH-SREVYHEPSA-L InChI InChI=1S/C14H17NO7S/c16-10(6-7-12(18)19)14(22)15(11(17)8-13(20)21)23-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19)(H,20,21)/p-2/b7-6- SMILES O=C([O-])/C=C\C(=O)C(=O)N(SC1CCCCC1)C(=O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H17NO7S/c16-10(6-7-12(18)19)14(22)15(11(17)8-13(20)21)23-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19)(H,20,21)/b7-6- SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:9]([S:23][N:15]([C:11]([CH2:8][C:13](=[O:20])[OH:21])=[O:17])[C:14]([C:10](/[CH:6]=[CH:7]\[C:12](=[O:18])[OH:19])=[O:16])=[O:22])[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