Mol:FL5FAAGL0106
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.3225 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3225 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6080 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6080 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6080 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6080 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.0370 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0370 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0370 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0370 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.1064 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1064 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3002 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3002 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0054 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0054 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0054 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0054 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3002 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3002 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5949 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5949 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5446 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5446 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1064 -0.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1064 -0.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3225 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3225 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6460 1.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6460 1.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9089 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9089 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0510 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0510 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8059 1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8059 1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1760 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1760 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0339 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0339 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2790 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2790 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0495 0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0495 0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5437 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5437 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0709 1.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0709 1.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6035 2.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6035 2.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5294 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5294 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3432 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3432 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1412 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1412 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6562 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6562 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4491 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4491 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6510 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6510 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1359 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1359 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6120 -1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6120 -1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4149 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4149 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7644 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7644 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9533 -1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9533 -1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5141 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5141 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7056 -2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7056 -2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5660 -1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5660 -1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2423 -1.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2423 -1.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7333 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7333 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3590 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3590 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9190 -2.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9190 -2.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9169 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9169 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2839 -2.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2839 -2.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5665 -2.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5665 -2.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5309 0.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5309 0.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4015 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4015 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2528 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2528 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9460 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9460 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7985 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7985 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9473 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9473 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2540 -0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2540 -0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8207 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8207 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7018 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7018 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7689 -2.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7689 -2.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0709 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0709 -1.7750 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 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 41 45 1 0 0 0 0 | + | 41 45 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 42 50 1 0 0 0 0 | + | 42 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 40 53 1 0 0 0 0 | + | 40 53 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 57 56 1 1 0 0 0 | + | 57 56 1 1 0 0 0 |
| − | 58 57 1 1 0 0 0 | + | 58 57 1 1 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 54 60 1 0 0 0 0 | + | 54 60 1 0 0 0 0 |
| − | 55 61 1 0 0 0 0 | + | 55 61 1 0 0 0 0 |
| − | 56 62 1 0 0 0 0 | + | 56 62 1 0 0 0 0 |
| − | 57 63 1 0 0 0 0 | + | 57 63 1 0 0 0 0 |
| − | 58 53 1 0 0 0 0 | + | 58 53 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0106 | + | ID FL5FAAGL0106 |
| − | FORMULA C39H50O24 | + | FORMULA C39H50O24 |
| − | EXACTMASS 902.269202528 | + | EXACTMASS 902.269202528 |
| − | AVERAGEMASS 902.7999 | + | AVERAGEMASS 902.7999 |
| − | SMILES O(C(O7)C(C(C(O)C(CO)7)O)O)C(C(OC(C6=O)=C(Oc(c46)cc(OC(O5)C(C(O)C(O)C5C)O)cc4O)c(c3)ccc(c3)O)1)C(C(C(COC(O2)C(C(O)C(C2C)O)O)O1)O)O | + | SMILES O(C(O7)C(C(C(O)C(CO)7)O)O)C(C(OC(C6=O)=C(Oc(c46)cc(OC(O5)C(C(O)C(O)C5C)O)cc4O)c(c3)ccc(c3)O)1)C(C(C(COC(O2)C(C(O)C(C2C)O)O)O1)O)O |
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
-1.3225 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0370 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8209 1.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5446 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1064 -0.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6460 1.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9089 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0510 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8059 1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0339 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2790 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0495 0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5437 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0709 1.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 2.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5294 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4491 0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1359 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6120 -1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4149 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 -2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 -1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2423 -1.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9190 -2.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9169 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 -2.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5665 -2.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5309 0.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 -0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2528 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9460 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7985 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9473 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2540 -0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 -1.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7018 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7689 -2.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0709 -1.7750 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
14 17 1 0 0 0 0
7 18 2 0 0 0 0
1 19 1 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
20 24 1 0 0 0 0
21 27 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
8 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
31 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
32 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
41 45 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
42 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
40 53 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 63 1 0 0 0 0
58 53 1 0 0 0 0
S SKP 5
ID FL5FAAGL0106
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES O(C(O7)C(C(C(O)C(CO)7)O)O)C(C(OC(C6=O)=C(Oc(c46)cc(OC(O5)C(C(O)C(O)C5C)O)cc4O)c(c3)ccc(c3)O)1)C(C(C(COC(O2)C(C(O)C(C2C)O)O)O1)O)O
M END
