compound 0235532

Properties Image MNX_ID MNXM1174541 reference envipathM:...ac0992411255 formula C14H15NO7S global charge -2 mol weight 341.341 InChIKey ZQBCBFQIPVIUTQ-FNORWQNLSA-L InChI InChI=1S/C14H17NO7S/c16-9-3-1-2-4-10(9)23-15-13(21)7(5-11(17)18)8(14(15)22)6-12(19)20/h5,8-10,16H,1-4,6H2,(H,17,18)(H,19,20)/p-2/b7-5+ SMILES O=C([O-])/C=C1/C(=O)N(SC2CCCCC2O)C(=O)C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H17NO7S/c16-9-3-1-2-4-10(9)23-15-13(21)7(5-11(17)18)8(14(15)22)6-12(19)20/h5,8-10,16H,1-4,6H2,(H,17,18)(H,19,20)/b7-5+/t8?,9?,10? SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:10]([S:23][N:15]2[C:13](=[O:21])/[C:7](=[CH:5]/[C:11](=[O:17])[OH:18])[CH:8]([CH2:6][C:12](=[O:19])[OH:20])[C:14]2=[O:22])[CH:9]([OH:16])[CH2:3]1

Parent-child relations graph

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