Mol:Curcumin
From Metabolomics.JP
ACD/Labs11090715412D 27 28 0 0 0 0 0 0 0 0 1 V2000 13.6186 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6186 -13.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 -11.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 -14.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3149 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3149 -13.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7704 -11.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9222 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0740 -11.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2258 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3777 -11.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5295 -12.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6813 -11.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8331 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1631 -14.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4666 -15.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3148 -16.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1368 -12.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1368 -13.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9849 -11.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9849 -14.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8331 -13.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2887 -14.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1368 -16.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9850 -15.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0740 -10.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3777 -10.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 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 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 21 19 2 0 0 0 0 14 20 1 0 0 0 0 22 21 1 0 0 0 0 22 14 2 0 0 0 0 19 23 1 0 0 0 0 25 24 1 0 0 0 0 25 21 1 0 0 0 0 9 26 2 0 0 0 0 11 27 2 0 0 0 0 S SKP 5 ID Curcumin FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c1)c(O)ccc(C=CC(=O)CC(=O)C=Cc(c2)cc(OC)c(O)c2)1 M END