Citreovirone

Properties Image MNX_ID MNXM120641 reference hmdb:HMDB0033516 formula C12H14Cl2O4 global charge 0 mol weight 293.146 InChIKey ASUNQAFARHTUFP-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl2O4/c1-18-10-4-7(2-8(15)5-10)3-9(16)6-11(17)12(13)14/h2,4-5,11-12,15,17H,3,6H2,1H3 SMILES COC1=CC(CC(=O)CC(O)C(Cl)Cl)=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C12H14Cl2O4/c1-18-10-4-7(2-8(15)5-10)3-9(16)6-11(17)12(13)14/h2,4-5,11-12,15,17H,3,6H2,1H3/t11? SMILES (mnx) [CH3:1][O:18][C:10]1=[CH:4][C:7]([CH2:3][C:9]([CH2:6][CH:11]([CH:12]([Cl:13])[Cl:14])[OH:17])=[O:16])=[CH:2][C:8]([OH:15])=[CH:5]1

Parent-child relations graph

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