Mol:FL5FAGGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | 86 94 0 0 0 0 0 0 0 0999 V2000 | + | 86 94 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.4425 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4425 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4425 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4425 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6838 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6838 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9252 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9252 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9252 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9252 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6838 1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6838 1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.6588 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6588 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1144 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1144 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8877 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8877 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.1144 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1144 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6588 2.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6588 2.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3487 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3487 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6838 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6838 -0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6607 3.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6607 3.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7003 -0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7003 -0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1144 3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1144 3.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6607 1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6607 1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.9128 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9128 2.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.3613 2.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3613 2.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.3912 5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3912 5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7397 4.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7397 4.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3718 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3718 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4931 -1.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4931 -1.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9281 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9281 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2282 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2282 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1068 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1068 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6718 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6718 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2102 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2102 -2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9904 -1.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9904 -1.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9317 -1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9317 -1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0845 -1.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0845 -1.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1356 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1356 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6083 -2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6083 -2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4243 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4243 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1668 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1668 -2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6941 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6941 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8781 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8781 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3498 -1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3498 -1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.9294 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9294 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8251 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8251 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5460 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5460 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0256 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0256 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.8527 -0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8527 -0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0803 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0803 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4303 -2.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4303 -2.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0517 -3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0517 -3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4066 -4.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4066 -4.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2770 -3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2770 -3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9098 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9098 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2646 -4.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2646 -4.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9069 -3.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9069 -3.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1915 -3.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1915 -3.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1660 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1660 -4.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1915 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1915 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9069 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9069 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 -4.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 -4.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1657 -5.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1657 -5.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5298 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5298 0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8113 0.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8113 0.5210 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 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 |
| − | 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 |
| − | 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 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 21 1 0 0 0 0 | + | 47 21 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 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 53 1 0 0 0 0 | + | 58 53 1 0 0 0 0 |
| − | 53 59 1 0 0 0 0 | + | 53 59 1 0 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 |
| − | 56 62 1 0 0 0 0 | + | 56 62 1 0 0 0 0 |
| − | 54 52 1 0 0 0 0 | + | 54 52 1 0 0 0 0 |
| − | 63 64 1 1 0 0 0 | + | 63 64 1 1 0 0 0 |
| − | 64 65 1 1 0 0 0 | + | 64 65 1 1 0 0 0 |
| − | 66 65 1 1 0 0 0 | + | 66 65 1 1 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 68 63 1 0 0 0 0 | + | 68 63 1 0 0 0 0 |
| − | 64 69 1 0 0 0 0 | + | 64 69 1 0 0 0 0 |
| − | 65 70 1 0 0 0 0 | + | 65 70 1 0 0 0 0 |
| − | 63 59 1 0 0 0 0 | + | 63 59 1 0 0 0 0 |
| − | 66 71 1 0 0 0 0 | + | 66 71 1 0 0 0 0 |
| − | 62 72 1 0 0 0 0 | + | 62 72 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 73 75 1 0 0 0 0 | + | 73 75 1 0 0 0 0 |
| − | 75 76 2 0 0 0 0 | + | 75 76 2 0 0 0 0 |
| − | 76 77 1 0 0 0 0 | + | 76 77 1 0 0 0 0 |
| − | 77 78 2 0 0 0 0 | + | 77 78 2 0 0 0 0 |
| − | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | 79 80 2 0 0 0 0 | + | 79 80 2 0 0 0 0 |
| − | 80 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
| − | 81 82 2 0 0 0 0 | + | 81 82 2 0 0 0 0 |
| − | 82 77 1 0 0 0 0 | + | 82 77 1 0 0 0 0 |
| − | 80 83 1 0 0 0 0 | + | 80 83 1 0 0 0 0 |
| − | 81 84 1 0 0 0 0 | + | 81 84 1 0 0 0 0 |
| − | 85 86 1 0 0 0 0 | + | 85 86 1 0 0 0 0 |
| − | 67 85 1 0 0 0 0 | + | 67 85 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 85 86 | + | M SAL 1 2 85 86 |
| − | M SBL 1 1 94 | + | M SBL 1 1 94 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 94 -0.5716 -0.4834 | + | M SBV 1 94 -0.5716 -0.4834 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGS0017 | + | ID FL5FAGGS0017 |
| − | FORMULA C53H64O33 | + | FORMULA C53H64O33 |
| − | EXACTMASS 1228.332984574 | + | EXACTMASS 1228.332984574 |
| − | AVERAGEMASS 1229.05546 | + | AVERAGEMASS 1229.05546 |
| − | SMILES OC(C(O)1)C(Oc(c(O)3)c(O)cc(C(O5)=C(OC(C6OC(O7)C(OC(C(O)9)OC(C(O)C9O)CO)C(O)C(O)C7COC(C=Cc(c8)cc(O)c(O)c8)=O)OC(C(O)C6O)C)C(=O)c(c45)c(cc(c4)O)O)c3)OCC(OC(C2O)OC(C(C2O)O)C)1 | + | SMILES OC(C(O)1)C(Oc(c(O)3)c(O)cc(C(O5)=C(OC(C6OC(O7)C(OC(C(O)9)OC(C(O)C9O)CO)C(O)C(O)C7COC(C=Cc(c8)cc(O)c(O)c8)=O)OC(C(O)C6O)C)C(=O)c(c45)c(cc(c4)O)O)c3)OCC(OC(C2O)OC(C(C2O)O)C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
86 94 0 0 0 0 0 0 0 0999 V2000
-4.4425 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4425 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6838 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9252 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9252 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6838 1.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1665 -0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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67 85 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 85 86
M SBL 1 1 94
M SMT 1 CH2OH
M SBV 1 94 -0.5716 -0.4834
S SKP 5
ID FL5FAGGS0017
FORMULA C53H64O33
EXACTMASS 1228.332984574
AVERAGEMASS 1229.05546
SMILES OC(C(O)1)C(Oc(c(O)3)c(O)cc(C(O5)=C(OC(C6OC(O7)C(OC(C(O)9)OC(C(O)C9O)CO)C(O)C(O)C7COC(C=Cc(c8)cc(O)c(O)c8)=O)OC(C(O)C6O)C)C(=O)c(c45)c(cc(c4)O)O)c3)OCC(OC(C2O)OC(C(C2O)O)C)1
M END
