Mol:FL5FACGS0087
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.0579 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0579 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0579 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0579 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7723 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7723 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4867 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4867 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4867 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4867 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7723 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7723 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3434 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3434 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9146 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9146 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9146 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9146 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6289 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6289 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3434 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3434 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2001 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2001 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4856 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4856 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4856 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4856 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2001 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2001 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6289 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6289 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0579 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0579 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2001 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2001 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0786 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0786 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1153 1.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1153 1.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0331 1.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0331 1.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4278 0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4278 0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7268 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7268 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9018 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9018 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5070 1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5070 1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2080 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2080 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0542 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0542 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5151 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5151 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0331 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0331 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6522 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6522 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3665 1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3665 1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9581 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9581 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7798 2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7798 2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1365 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1365 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8463 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8463 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0246 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0246 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6679 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6679 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9562 3.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9562 3.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3647 2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3647 2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1153 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1153 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2761 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2761 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8721 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8721 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4701 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4701 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 -1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 -1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0614 -1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0614 -1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4636 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4636 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6735 -1.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6735 -1.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2292 -2.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2292 -2.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 -2.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 -2.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7230 -1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7230 -1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1195 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1195 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8414 -2.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8414 -2.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1267 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1267 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4602 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4602 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2607 -2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2607 -2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -1.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -1.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0408 -2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0408 -2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6333 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6333 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2492 -2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2492 -2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2644 -2.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2644 -2.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7877 -3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7877 -3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1706 -2.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1706 -2.5355 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 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 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 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 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 54 62 1 0 0 0 0 | + | 54 62 1 0 0 0 0 |
| − | 55 63 1 0 0 0 0 | + | 55 63 1 0 0 0 0 |
| − | 56 64 1 0 0 0 0 | + | 56 64 1 0 0 0 0 |
| − | 48 19 1 0 0 0 0 | + | 48 19 1 0 0 0 0 |
| − | 52 57 1 0 0 0 0 | + | 52 57 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0087 | + | ID FL5FACGS0087 |
| − | FORMULA C39H50O25 | + | FORMULA C39H50O25 |
| − | EXACTMASS 918.26411715 | + | EXACTMASS 918.26411715 |
| − | AVERAGEMASS 918.7993 | + | AVERAGEMASS 918.7993 |
| − | SMILES OC(C6O)C(COC(O7)C(C(O)C(O)C7C)O)OC(C6O)Oc(c5)cc(c3c5O)OC(c(c4)cc(c(c4)O)O)=C(C3=O)OC(O2)C(C(O)C(C(C)2)OC(C1O)OC(C(O)C1O)CO)O | + | SMILES OC(C6O)C(COC(O7)C(C(O)C(O)C7C)O)OC(C6O)Oc(c5)cc(c3c5O)OC(c(c4)cc(c(c4)O)O)=C(C3=O)OC(O2)C(C(O)C(C(C)2)OC(C1O)OC(C(O)C1O)CO)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
4.0579 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0579 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7723 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4867 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4867 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7723 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3434 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6289 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3434 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 1.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 0.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6289 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 1.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0579 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2001 -0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0786 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1153 1.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0331 1.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4278 0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7268 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5070 1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2080 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0542 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5151 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0331 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6522 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3665 1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9581 2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7798 2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1365 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8463 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0246 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6679 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9562 3.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3647 2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1153 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2761 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8721 -0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4701 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0614 -1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4636 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6735 -1.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 -2.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 -2.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 -1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1195 -1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 -2.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1267 -2.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -2.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2607 -2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -1.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0408 -2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6333 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2644 -2.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -3.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1706 -2.5355 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
25 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
33 38 1 0 0 0 0
18 26 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
54 62 1 0 0 0 0
55 63 1 0 0 0 0
56 64 1 0 0 0 0
48 19 1 0 0 0 0
52 57 1 0 0 0 0
S SKP 5
ID FL5FACGS0087
FORMULA C39H50O25
EXACTMASS 918.26411715
AVERAGEMASS 918.7993
SMILES OC(C6O)C(COC(O7)C(C(O)C(O)C7C)O)OC(C6O)Oc(c5)cc(c3c5O)OC(c(c4)cc(c(c4)O)O)=C(C3=O)OC(O2)C(C(O)C(C(C)2)OC(C1O)OC(C(O)C1O)CO)O
M END
