Mol:Dimethylesculetin
From Metabolomics.JP
ACD/Labs11090715233D 15 16 0 0 0 0 0 0 0 0 1 V2000 18.7784 -12.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7784 -13.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6264 -11.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6264 -14.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4747 -12.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4747 -13.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0820 -12.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0820 -13.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9301 -11.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9301 -14.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2338 -11.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3229 -11.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1711 -12.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3230 -14.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1712 -13.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 6 1 0 0 0 0 15 14 1 0 0 0 0 S SKP 5 ID Dimethylesculetin FORMULA C11H10O4 EXACTMASS 206.05790880799998 AVERAGEMASS 206.1947 SMILES COc(c1)c(OC)cc(O2)c(C=CC(=O)2)1 M END