Mol:FLNA29NS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -0.4814 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3821 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5544 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -1.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1389 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7556 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4694 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -0.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1193 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 9 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -1.7782 0.6113 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.4212 1.78 S SKP 8 ID FLNA29NS0002 KNApSAcK_ID C00010193 NAME Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin CAS_RN 1857-05-2 FORMULA C17H14O4 EXACTMASS 282.089208936 AVERAGEMASS 282.29066 SMILES COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1 M END
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