Mol:FLNARNNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -1.2425 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4466 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 2.9651 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 10 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 12 18 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -1.5997 2.099 S SKP 8 ID FLNARNNS0001 KNApSAcK_ID C00010209 NAME 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin CAS_RN 89783-74-4 FORMULA C16H10O6 EXACTMASS 298.047738052 AVERAGEMASS 298.24699999999996 SMILES COc(c4)cc(O1)c(c34)C(=CC(=O)O3)c(c2)c(cc(O)c(O)2)1 M END
</pre>