Mol:FL4DPTNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -0.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.0925 0.0000 O 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 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 8 18 1 1 0 0 0 13 19 1 0 0 0 0 19 18 1 0 0 0 0 6 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 S SKP 8 ID FL4DPTNS0002 KNApSAcK_ID C00008602 NAME Mopanone CAS_RN 38279-43-5 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)C1c(c2)c(C3)c(O)c(O)c2 M END
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