Mol:FL5FACGS0086
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 61 67 0 0 0 0 0 0 0 0999 V2000 | + | 61 67 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8815 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5960 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5960 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3105 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3105 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3105 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3105 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5960 3.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5960 3.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1671 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1671 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4527 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4527 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7382 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7382 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7382 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7382 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4527 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4527 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1671 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1671 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0237 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0237 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6907 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6907 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6907 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6907 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0237 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0237 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4527 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4527 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4052 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4052 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0237 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0237 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9023 3.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9023 3.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9389 2.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9389 2.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2330 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2330 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0583 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0583 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2729 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2729 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8636 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8636 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0384 0.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0384 0.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8496 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8496 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2309 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2309 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5709 -1.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5709 -1.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2330 -1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2330 -1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8086 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8086 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9070 -0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9070 -0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3968 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3968 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3968 -3.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3968 -3.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5796 -3.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5796 -3.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3959 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3959 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9304 -2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9304 -2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0153 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0153 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5796 -3.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5796 -3.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9615 -2.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9615 -2.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8168 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8168 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9372 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9372 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5596 -1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5596 -1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7356 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7356 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0486 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0486 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5740 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5740 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2501 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2501 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2249 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2249 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5122 -2.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5122 -2.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9482 -1.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9482 -1.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6806 -1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6806 -1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3579 -2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3579 -2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7814 -3.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7814 -3.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0596 -2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0596 -2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2347 -2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2347 -2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8112 -2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8112 -2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5330 -2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5330 -2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3041 -3.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3041 -3.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5056 -3.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5056 -3.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9389 -2.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9389 -2.8394 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 40 34 1 1 0 0 0 | + | 40 34 1 1 0 0 0 |
| − | 39 34 1 1 0 0 0 | + | 39 34 1 1 0 0 0 |
| − | 38 40 1 1 0 0 0 | + | 38 40 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 40 36 1 0 0 0 0 | + | 40 36 1 0 0 0 0 |
| − | 41 38 1 0 0 0 0 | + | 41 38 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
| − | 45 50 1 0 0 0 0 | + | 45 50 1 0 0 0 0 |
| − | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
| − | 43 52 1 0 0 0 0 | + | 43 52 1 0 0 0 0 |
| − | 47 30 1 0 0 0 0 | + | 47 30 1 0 0 0 0 |
| − | 53 54 1 1 0 0 0 | + | 53 54 1 1 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 56 55 1 1 0 0 0 | + | 56 55 1 1 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 53 1 0 0 0 0 | + | 58 53 1 0 0 0 0 |
| − | 55 59 1 0 0 0 0 | + | 55 59 1 0 0 0 0 |
| − | 54 60 1 0 0 0 0 | + | 54 60 1 0 0 0 0 |
| − | 53 61 1 0 0 0 0 | + | 53 61 1 0 0 0 0 |
| − | 50 56 1 0 0 0 0 | + | 50 56 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0086 | + | ID FL5FACGS0086 |
| − | FORMULA C37H46O24 | + | FORMULA C37H46O24 |
| − | EXACTMASS 874.2379023999999 | + | EXACTMASS 874.2379023999999 |
| − | AVERAGEMASS 874.7467399999999 | + | AVERAGEMASS 874.7467399999999 |
| − | SMILES C(O1)C(CO)(O)C(C1OC(C(OC(C6=O)=C(Oc(c7)c6c(cc7O)O)c(c5)ccc(c5O)O)2)C(O)C(O)C(COC(C(O)3)OC(C)C(O)C(OC(O4)C(C(C(C4)O)O)O)3)O2)O | + | SMILES C(O1)C(CO)(O)C(C1OC(C(OC(C6=O)=C(Oc(c7)c6c(cc7O)O)c(c5)ccc(c5O)O)2)C(O)C(O)C(COC(C(O)3)OC(C)C(O)C(OC(O4)C(C(C(C4)O)O)O)3)O2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
2.8815 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5960 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3105 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3105 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5960 3.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1671 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7382 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7382 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1671 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0237 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6907 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6907 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0237 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4052 2.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0237 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9023 3.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9389 2.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0583 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 -0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8636 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0384 0.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8496 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2309 -0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5709 -1.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 -1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -1.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9070 -0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 -3.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5796 -3.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3959 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9304 -2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0153 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5796 -3.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9615 -2.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8168 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9372 -1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 -1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2501 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2249 -3.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5122 -2.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9482 -1.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6806 -1.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3579 -2.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7814 -3.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0596 -2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 -2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8112 -2.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5330 -2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3041 -3.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5056 -3.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9389 -2.8394 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
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
44 51 1 0 0 0 0
43 52 1 0 0 0 0
47 30 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
55 59 1 0 0 0 0
54 60 1 0 0 0 0
53 61 1 0 0 0 0
50 56 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 5
ID FL5FACGS0086
FORMULA C37H46O24
EXACTMASS 874.2379023999999
AVERAGEMASS 874.7467399999999
SMILES C(O1)C(CO)(O)C(C1OC(C(OC(C6=O)=C(Oc(c7)c6c(cc7O)O)c(c5)ccc(c5O)O)2)C(O)C(O)C(COC(C(O)3)OC(C)C(O)C(OC(O4)C(C(C(C4)O)O)O)3)O2)O
M END
