Mol:FL5FAANC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4941 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0502 0.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FL5FAANC0001 KNApSAcK_ID C00005035 NAME 8-C-p-Hydroxybenzylkaempferol CAS_RN 163399-33-5 FORMULA C22H16O7 EXACTMASS 392.089602866 AVERAGEMASS 392.35824 SMILES c(c4)(ccc(c4)C(=C(O)3)Oc(c2C3=O)c(c(cc(O)2)O)Cc(c1)ccc(c1)O)O M END