Mol:FL1CA9NI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 2.2866 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2866 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 1.9816 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.5499 1.1156 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.4864 0.8281 S SKP 8 ID FL1CA9NI0004 KNApSAcK_ID C00007085 NAME Ovalichalcone CAS_RN 62820-10-4 FORMULA C22H24O4 EXACTMASS 352.167459256 AVERAGEMASS 352.42356 SMILES c(c(C(=O)C=Cc(c2)cccc2)1)(O)c(c(cc(OC)1)OC)CC=C(C)C M END
</pre>