Mol:FL3FECNSS003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.0887 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -1.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 0.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 1.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 -1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -1.0487 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 -1.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 1.0138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 1.0138 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 26 1 1 0 0 0 0 S SKP 8 ID FL3FECNSS003 KNApSAcK_ID C00004399 NAME 6-Hydroxyluteolin 6,7-disulfate CAS_RN 111509-42-3 FORMULA C15H10O13S2 EXACTMASS 461.956281786 AVERAGEMASS 462.3641 SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OS(O)(=O)=O)c1OS(O)(=O)=O M END
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