compound 0236222

Properties Image MNX_ID MNXM1138316 reference envipathM:...5a4d300d0b84 formula C14H12NO9S global charge -1 mol weight 370.315 InChIKey ZIRSANCRRDWOHI-ZESFLVPWSA-M InChI InChI=1S/C14H13NO9S/c16-6-1-4-10(9(18)5-6)25(24)15-12(20)7(11(19)13(15)21)2-3-8(17)14(22)23/h2-3,6,10,16-17H,1,4-5H2,(H,22,23)/p-1/b7-2+,8-3+ SMILES O=C([O-])/C(O)=C\C=C1/C(=O)C(=O)N(S(=O)C2CCC(O)CC2=O)C1=O MNX internals InChI (mnx) InChI=1/C14H13NO9S/c16-6-1-4-10(9(18)5-6)25(24)15-12(20)7(11(19)13(15)21)2-3-8(17)14(22)23/h2-3,6,10,16-17H,1,4-5H2,(H,22,23)/b7-2+,8-3+/t6?,10?,25? SMILES (mnx) [CH2:1]1[CH2:4][CH:10]([S:25]([N:15]2[C:12](=[O:20])/[C:7](=[CH:2]/[CH:3]=[C:8](\[C:14](=[O:22])[OH:23])[OH:17])[C:11](=[O:19])[C:13]2=[O:21])=[O:24])[C:9](=[O:18])[CH2:5][CH:6]1[OH:16]

Parent-child relations graph

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