Mol:FL5FAAGL0077
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 34 21 1 0 0 0 0 | + | 34 21 1 0 0 0 0 |
− | 22 43 1 0 0 0 0 | + | 22 43 1 0 0 0 0 |
− | 43 42 1 0 0 0 0 | + | 43 42 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 39 44 1 0 0 0 0 | + | 39 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 40 46 1 0 0 0 0 | + | 40 46 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 46 48 2 0 0 0 0 | + | 46 48 2 0 0 0 0 |
− | 41 49 1 0 0 0 0 | + | 41 49 1 0 0 0 0 |
− | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
− | 49 51 2 0 0 0 0 | + | 49 51 2 0 0 0 0 |
− | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
− | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
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− | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
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− | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
− | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
− | 57 60 1 0 0 0 0 | + | 57 60 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0077 | + | ID FL5FAAGL0077 |
− | FORMULA C43H36O17 | + | FORMULA C43H36O17 |
− | EXACTMASS 824.1952497259999 | + | EXACTMASS 824.1952497259999 |
− | AVERAGEMASS 824.7357400000001 | + | AVERAGEMASS 824.7357400000001 |
− | SMILES C(OCC(C6OC(C)=O)OC(C(C(OC(C)=O)6)OC(=O)C=Cc(c5)ccc(O)c5)OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(O)c2)(=O)C=Cc(c1)ccc(c1)O | + | SMILES C(OCC(C6OC(C)=O)OC(C(C(OC(C)=O)6)OC(=O)C=Cc(c5)ccc(O)c5)OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(O)c2)(=O)C=Cc(c1)ccc(c1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 60 65 0 0 0 0 0 0 0 0999 V2000 -4.4916 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4916 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3482 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3482 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3482 1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 3.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 4.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7771 1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 5.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6104 1.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4938 -3.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -4.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 -3.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -3.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 -3.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2199 -4.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 -5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 -4.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 0.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 -0.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 1.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -1.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 -2.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -3.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 2.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -1.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -3.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6694 -3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 2.7034 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 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 22 43 1 0 0 0 0 43 42 1 0 0 0 0 4 3 1 0 0 0 0 39 44 1 0 0 0 0 44 45 2 0 0 0 0 40 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 41 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 44 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 54 1 0 0 0 0 57 60 1 0 0 0 0 S SKP 5 ID FL5FAAGL0077 FORMULA C43H36O17 EXACTMASS 824.1952497259999 AVERAGEMASS 824.7357400000001 SMILES C(OCC(C6OC(C)=O)OC(C(C(OC(C)=O)6)OC(=O)C=Cc(c5)ccc(O)c5)OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(O)c2)(=O)C=Cc(c1)ccc(c1)O M END