compound 0084388

Properties Image MNX_ID MNXM1193667 reference envipathM:...335d3c55eb14 formula C12H11Cl5O6 global charge 0 mol weight 428.479 InChIKey XQXUKYWYIADHKF-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O6/c13-4-5(14)10(22)9(21)2-1-7(20,6(19)3(2)18)11(9,23)8(4,15)12(10,16)17/h2-3,6,18-23H,1H2 SMILES OC1C(O)C2(O)CC1C1(O)C3(O)C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-4-5(14)10(22)9(21)2-1-7(20,6(19)3(2)18)11(9,23)8(4,15)12(10,16)17/h2-3,6,18-23H,1H2/t2?,3?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]([OH:18])[CH:6]([OH:19])[C:7]1([OH:20])[C:11]1([OH:23])[C:8]3([Cl:15])[C:4]([Cl:13])=[C:5]([Cl:14])[C:10]([OH:22])([C:9]21[OH:21])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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