Mol:FL5FFCNS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.6397 0.0000 C 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 15 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.6687 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.4611 -0.9854 S SKP 8 ID FL5FFCNS0008 KNApSAcK_ID C00004728 NAME Gossypetin 3,3'-dimethyl ether CAS_RN 96887-24-0 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c(O)3)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c1c(O)c(O)c2 M END
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