Mol:FLIFHXNF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 31 0 0 0 0 0 0 0 0999 V2000 -1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 -0.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 -0.9018 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 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 7 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 8 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 14 1 0 0 0 0 S SKP 8 ID FLIFHXNF0001 KNApSAcK_ID C00009582 NAME 12a-Hydroxydolineone CAS_RN 28617-71-2 FORMULA C19H12O7 EXACTMASS 352.058302738 AVERAGEMASS 352.29438000000005 SMILES c(c56)c(c(cc5OCO6)1)OCC(O2)C(C(c(c4)c2cc(c43)occ3)=O)1O M END
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