Mol:FL3FAIGS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 59 64 0 0 0 0 0 0 0 0999 V2000 | + | 59 64 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2302 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2302 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2302 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2302 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9446 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9446 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6592 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6592 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6592 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6592 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.8011 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8011 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0867 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0867 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0867 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0867 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.5157 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5157 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3722 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3722 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3424 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3424 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3424 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3424 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3722 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3722 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8011 -0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8011 -0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0569 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0569 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3722 -0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3722 -0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1911 3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1911 3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9446 3.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9446 3.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2723 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2723 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6278 4.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6278 4.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2723 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2723 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8985 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8985 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4859 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4859 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6878 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6878 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8946 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8946 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3070 2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3070 2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1051 2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1051 2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4783 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4783 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5992 2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5992 2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2663 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2663 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3090 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3090 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1522 3.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1522 3.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1601 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1601 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7445 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7445 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9964 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9964 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4633 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4633 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6837 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6837 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4320 1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4320 1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9651 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9651 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6333 0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6333 0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2723 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2723 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1411 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1411 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6026 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6026 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4264 0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4264 0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7458 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0917 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0917 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7458 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4540 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4540 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4540 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4540 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1685 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1685 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1685 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1685 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4540 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4540 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7396 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7396 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7396 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7396 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4540 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4540 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6333 1.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6333 1.3688 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 31 35 2 0 0 0 0 | + | 31 35 2 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
| − | 40 34 1 0 0 0 0 | + | 40 34 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 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 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 52 1 0 0 0 0 | + | 57 52 1 0 0 0 0 |
| − | 55 58 1 0 0 0 0 | + | 55 58 1 0 0 0 0 |
| − | 43 59 1 0 0 0 0 | + | 43 59 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAIGS0013 | + | ID FL3FAIGS0013 |
| − | FORMULA C38H36O21 | + | FORMULA C38H36O21 |
| − | EXACTMASS 828.174908214 | + | EXACTMASS 828.174908214 |
| − | AVERAGEMASS 828.67984 | + | AVERAGEMASS 828.67984 |
| − | SMILES C(C6C(O)=O)(O)C(C(C(O6)Oc(c3)cc(O)c(C(=O)5)c3OC(=C5)c(c4)cc(c(O)c4OC)OC)OC(C(OC(=O)C=Cc(c2)ccc(c2)O)1)OC(C(O)=O)C(O)C(O)1)O | + | SMILES C(C6C(O)=O)(O)C(C(C(O6)Oc(c3)cc(O)c(C(=O)5)c3OC(=C5)c(c4)cc(c(O)c4OC)OC)OC(C(OC(=O)C=Cc(c2)ccc(c2)O)1)OC(C(O)=O)C(O)C(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
59 64 0 0 0 0 0 0 0 0999 V2000
3.2302 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3424 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 -0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 -0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1911 3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9446 3.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2723 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6278 4.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2723 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8985 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4859 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6878 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8946 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3070 2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1051 2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4783 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5992 2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3090 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1522 3.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1601 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7445 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9964 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4633 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6837 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4320 1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9651 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6333 0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2723 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1411 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6026 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4264 0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0917 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1685 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1685 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6333 1.3688 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
4 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
31 35 2 0 0 0 0
31 36 1 0 0 0 0
28 18 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 34 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 51 2 0 0 0 0
51 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 52 1 0 0 0 0
55 58 1 0 0 0 0
43 59 1 0 0 0 0
S SKP 5
ID FL3FAIGS0013
FORMULA C38H36O21
EXACTMASS 828.174908214
AVERAGEMASS 828.67984
SMILES C(C6C(O)=O)(O)C(C(C(O6)Oc(c3)cc(O)c(C(=O)5)c3OC(=C5)c(c4)cc(c(O)c4OC)OC)OC(C(OC(=O)C=Cc(c2)ccc(c2)O)1)OC(C(O)=O)C(O)C(O)1)O
M END
