Mol:FL1C1ANI0014
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
− | 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7463 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7463 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C1ANI0014 | + | ID FL1C1ANI0014 |
− | KNApSAcK_ID C00007095 | + | KNApSAcK_ID C00007095 |
− | NAME Broussochalcone A | + | NAME Broussochalcone A |
− | CAS_RN 99217-68-2 | + | CAS_RN 99217-68-2 |
− | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
− | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
− | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
− | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 | + | SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 1.1816 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1816 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6315 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 -1.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 1.9204 0.0000 C 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 5 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL1C1ANI0014 KNApSAcK_ID C00007095 NAME Broussochalcone A CAS_RN 99217-68-2 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(c(O)1)(O)ccc(C=CC(=O)c(c2)c(cc(O)c2CC=C(C)C)O)c1 M END