Mol:FL1BUNNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5525 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
− | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
− | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
− | 8 12 1 0 0 0 0 | + | 8 12 1 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 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 8 1 0 0 0 0 | + | 16 8 1 0 0 0 0 |
− | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
− | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
− | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
− | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1BUNNS0001 | + | ID FL1BUNNS0001 |
− | KNApSAcK_ID C00008076 | + | KNApSAcK_ID C00008076 |
− | NAME Crombenin | + | NAME Crombenin |
− | CAS_RN 37486-29-6 | + | CAS_RN 37486-29-6 |
− | FORMULA C16H12O8 | + | FORMULA C16H12O8 |
− | EXACTMASS 332.05321735999996 | + | EXACTMASS 332.05321735999996 |
− | AVERAGEMASS 332.26168 | + | AVERAGEMASS 332.26168 |
− | SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2 | + | SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 -0.7911 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 10 2 0 0 0 0 11 4 1 0 0 0 0 8 12 1 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 1 0 0 0 0 16 8 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 12 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 6 24 1 0 0 0 0 S SKP 8 ID FL1BUNNS0001 KNApSAcK_ID C00008076 NAME Crombenin CAS_RN 37486-29-6 FORMULA C16H12O8 EXACTMASS 332.05321735999996 AVERAGEMASS 332.26168 SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2 M END