compound 0235932

Properties Image MNX_ID MNXM1189514 reference envipathM:...41fc9a738688 formula C14H11NO8S global charge -2 mol weight 353.308 InChIKey BOXAYFUPMZHCNB-YDFGWWAZSA-L InChI InChI=1S/C14H13NO8S/c16-8-2-1-3-9(17)12(8)24-15-13(22)6(4-10(18)19)7(14(15)23)5-11(20)21/h4-5,8,12,16H,1-3H2,(H,18,19)(H,20,21)/p-2/b6-4+,7-5+ SMILES O=C([O-])/C=C1/C(=O)N(SC2C(=O)CCCC2O)C(=O)/C1=C/C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H13NO8S/c16-8-2-1-3-9(17)12(8)24-15-13(22)6(4-10(18)19)7(14(15)23)5-11(20)21/h4-5,8,12,16H,1-3H2,(H,18,19)(H,20,21)/b6-4+,7-5+/t8?,12? SMILES (mnx) [CH2:1]1[CH2:2][CH:8]([OH:16])[CH:12]([S:24][N:15]2[C:13](=[O:22])[C:6](=[CH:4]/[C:10](=[O:18])[OH:19])/[C:7](=[CH:5]\[C:11](=[O:20])[OH:21])[C:14]2=[O:23])[C:9](=[O:17])[CH2:3]1

Parent-child relations graph

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