Mol:FL63RNNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 24 0 0 0 0 0 0 0 0999 V2000 -2.3373 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.3334 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 1 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 9 12 1 0 0 0 0 7 13 1 0 0 0 0 12 14 2 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 8 21 1 0 0 0 0 S SKP 8 ID FL63RNNS0002 KNApSAcK_ID C00009002 NAME 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol CAS_RN 119116-87-9 FORMULA C15H12O6 EXACTMASS 288.063388116 AVERAGEMASS 288.25218 SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c3)c(cc(O)c(O)3)2 M END
</pre>