compound 0236301

Properties Image MNX_ID MNXM1186442 reference envipathM:...c141bcd6e79c formula C14H15NO9S global charge -2 mol weight 373.339 InChIKey BSGQKKDRXBRUOB-RUDMXATFSA-L InChI InChI=1S/C14H17NO9S/c16-6-1-7(17)3-8(2-6)25(24)15-13(22)9(4-11(18)19)10(14(15)23)5-12(20)21/h4,6-8,10,16-17H,1-3,5H2,(H,18,19)(H,20,21)/p-2/b9-4+ SMILES O=C([O-])/C=C1/C(=O)N(S(=O)C2CC(O)CC(O)C2)C(=O)C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H17NO9S/c16-6-1-7(17)3-8(2-6)25(24)15-13(22)9(4-11(18)19)10(14(15)23)5-12(20)21/h4,6-8,10,16-17H,1-3,5H2,(H,18,19)(H,20,21)/b9-4+/t6?,7?,8?,10?,25? SMILES (mnx) [CH2:1]1[CH:6]([OH:16])[CH2:2][CH:8]([S:25]([N:15]2[C:13](=[O:22])/[C:9](=[CH:4]/[C:11](=[O:18])[OH:19])[CH:10]([CH2:5][C:12](=[O:20])[OH:21])[C:14]2=[O:23])=[O:24])[CH2:3][CH:7]1[OH:17]

Parent-child relations graph

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