Mol:Baicalein
From Metabolomics.JP
ACD/Labs11090716292D 20 22 0 0 0 0 0 0 0 0 1 V2000 17.2240 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2240 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0721 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0721 -14.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9203 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9203 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5277 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5277 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3758 -11.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3758 -14.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7685 -11.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7685 -14.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0721 -15.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3758 -15.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6795 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6795 -10.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8314 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8314 -9.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9832 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9832 -10.1753 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 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 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 5 11 1 0 0 0 0 6 12 1 0 0 0 0 4 13 1 0 0 0 0 10 14 2 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 20 19 2 0 0 0 0 7 15 1 0 0 0 0 S SKP 5 ID Baicalein FORMULA C15H10O5 EXACTMASS 270.05282343 AVERAGEMASS 270.2369 SMILES c(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c(O)1 M END