4-(3'-acetyl-5'-hydroxy-4'-oxo-1',4'-dihydronapthalen-2'-yl)-3-oxobutanoate

Properties Image MNX_ID MNXM6102 reference metacycM:CPD1A0-6104 formula C16H13O6 global charge -1 mol weight 301.274 InChIKey PBONQNRANFYEQU-UHFFFAOYSA-M InChI InChI=1S/C16H14O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,19H,5-7H2,1H3,(H,20,21)/p-1 SMILES CC(=O)C1=C(CC(=O)CC(=O)[O-])CC2=C(C1=O)C(O)=CC=C2 MNX internals InChI (mnx) InChI=1/C16H14O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,19H,5-7H2,1H3,(H,20,21) SMILES (mnx) [CH3:1][C:8]([C:14]1=[C:10]([CH2:6][C:11]([CH2:7][C:13](=[O:20])[OH:21])=[O:18])[CH2:5][C:9]2=[C:15]([C:12]([OH:19])=[CH:4][CH:2]=[CH:3]2)[C:16]1=[O:22])=[O:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0