Mol:FL4DPTNS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -1.8429 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7708 -1.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2864 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 1.6725 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 2 22 1 0 0 0 0 16 23 1 0 0 0 0 S SKP 8 ID FL4DPTNS0003 KNApSAcK_ID C00008603 NAME Crombeone CAS_RN 30759-13-8 FORMULA C16H12O7 EXACTMASS 316.058302738 AVERAGEMASS 316.26228000000003 SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O3)C1c(c2)c(C3)cc(O)c(O)2 M END
</pre>