compound 0286896

Properties Image MNX_ID MNXM1173553 reference envipathM:...dfd0ff160b5c formula C16H20O8 global charge -2 mol weight 340.328 InChIKey FSTDVMJEMJEWPI-UHFFFAOYSA-L InChI InChI=1S/C16H22O8/c1-8-9(6-10(17)7-11(8)18)4-3-5-16(2,24)12(14(20)21)13(19)15(22)23/h6-7,12-13,17-19,24H,3-5H2,1-2H3,(H,20,21)(H,22,23)/p-2 SMILES CC1=C(CCCC(C)(O)C(C(=O)[O-])C(O)C(=O)[O-])C=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C16H22O8/c1-8-9(6-10(17)7-11(8)18)4-3-5-16(2,24)12(14(20)21)13(19)15(22)23/h6-7,12-13,17-19,24H,3-5H2,1-2H3,(H,20,21)(H,22,23)/t12?,13?,16? SMILES (mnx) [CH3:1][C:8]1=[C:11]([OH:18])[CH:7]=[C:10]([OH:17])[CH:6]=[C:9]1[CH2:4][CH2:3][CH2:5][C:16]([CH3:2])([CH:12]([CH:13]([C:15](=[O:22])[OH:23])[OH:19])[C:14](=[O:20])[OH:21])[OH:24]

Parent-child relations graph

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