Mol:FL2F1LNI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.6416 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4966 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1207 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 0.4749 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 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 0 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 6 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 17 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -5.3057 4.3398 S SKP 8 ID FL2F1LNI0003 KNApSAcK_ID C00008462 NAME Euchrenone a8 CAS_RN 130252-51-6 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES c(c(OC)3)(CC=C(C)C)cc(c(c3)O)C(O2)CC(c(c21)ccc(O)c1CC=C(C)C)=O M END
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