Mol:FL5FAAGA0045
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 63 69 0 0 0 0 0 0 0 0999 V2000 | + | 63 69 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2462 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2462 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5317 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5317 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8172 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8172 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8172 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8172 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5317 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5317 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1028 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6117 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6117 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6117 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6117 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1028 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1014 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1014 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5113 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5113 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2394 1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2394 1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9676 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9676 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9676 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9676 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2394 2.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2394 2.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5113 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5113 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5317 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5317 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7469 2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7469 2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9085 1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9085 1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4200 -0.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4200 -0.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 -1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 -1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4671 -1.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4671 -1.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 -2.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 -2.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 -2.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 -2.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7268 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7268 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9351 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9351 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7313 -2.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7313 -2.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3885 -3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3885 -3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4677 -3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4677 -3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 -3.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 -3.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0071 -3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0071 -3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4677 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4677 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2537 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2537 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2628 -1.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2628 -1.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 -1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 -1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7766 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7766 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1392 -3.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1392 -3.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8492 -3.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8492 -3.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1639 -2.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1639 -2.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5353 -2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5353 -2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2084 -2.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2084 -2.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5353 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5353 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3503 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3503 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3503 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3503 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0686 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0686 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0686 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0686 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3503 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3503 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6321 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6321 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6321 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6321 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3503 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3503 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4177 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4177 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7432 1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7432 1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9572 2.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9572 2.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7432 2.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7432 2.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4177 3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4177 3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2037 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2037 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2129 3.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2129 3.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7432 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7432 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8092 2.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8092 2.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0686 1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0686 1.7779 0.0000 O 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 |
| − | 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 41 30 1 0 0 0 0 | + | 41 30 1 0 0 0 0 |
| − | 27 42 1 0 0 0 0 | + | 27 42 1 0 0 0 0 |
| − | 29 43 1 0 0 0 0 | + | 29 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 55 54 1 1 0 0 0 | + | 55 54 1 1 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 59 54 1 1 0 0 0 | + | 59 54 1 1 0 0 0 |
| − | 58 60 1 0 0 0 0 | + | 58 60 1 0 0 0 0 |
| − | 57 61 1 0 0 0 0 | + | 57 61 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 54 63 1 0 0 0 0 | + | 54 63 1 0 0 0 0 |
| − | 55 20 1 0 0 0 0 | + | 55 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGA0045 | + | ID FL5FAAGA0045 |
| − | FORMULA C42H46O21 | + | FORMULA C42H46O21 |
| − | EXACTMASS 886.253158534 | + | EXACTMASS 886.253158534 |
| − | AVERAGEMASS 886.8020399999999 | + | AVERAGEMASS 886.8020399999999 |
| − | SMILES C(c(c7)ccc(O)c7)(O1)=C(OC(C5O)OC(COC(O6)C(C(C(O)C6C)O)O)C(C5O)OC(=O)C=Cc(c4)ccc(c4)O)C(=O)c(c2O)c(cc(OC(C(O)3)OC(C)C(O)C(O)3)c2)1 | + | SMILES C(c(c7)ccc(O)c7)(O1)=C(OC(C5O)OC(COC(O6)C(C(C(O)C6C)O)O)C(C5O)OC(=O)C=Cc(c4)ccc(c4)O)C(=O)c(c2O)c(cc(OC(C(O)3)OC(C)C(O)C(O)3)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-2.2462 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8172 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8172 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 -0.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6117 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6117 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1014 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2394 1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9676 1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9676 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2394 2.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5113 2.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 2.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9085 1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4200 -0.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 -1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 -1.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -2.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 -2.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7268 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9351 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 -2.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3885 -3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 -3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 -3.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 -3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4677 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2537 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2628 -1.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 -1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1392 -3.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 -3.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 -2.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5353 -2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2084 -2.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5353 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3503 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3503 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0686 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0686 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3503 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6321 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6321 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3503 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4177 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7432 1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9572 2.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7432 2.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4177 3.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2037 2.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2129 3.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7432 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8092 2.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0686 1.7779 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 41 1 0 0 0 0
41 30 1 0 0 0 0
27 42 1 0 0 0 0
29 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
55 54 1 1 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
59 54 1 1 0 0 0
58 60 1 0 0 0 0
57 61 1 0 0 0 0
59 62 1 0 0 0 0
54 63 1 0 0 0 0
55 20 1 0 0 0 0
S SKP 5
ID FL5FAAGA0045
FORMULA C42H46O21
EXACTMASS 886.253158534
AVERAGEMASS 886.8020399999999
SMILES C(c(c7)ccc(O)c7)(O1)=C(OC(C5O)OC(COC(O6)C(C(C(O)C6C)O)O)C(C5O)OC(=O)C=Cc(c4)ccc(c4)O)C(=O)c(c2O)c(cc(OC(C(O)3)OC(C)C(O)C(O)3)c2)1
M END
