Mol:FL5FACGL0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1597 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1597 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1597 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1597 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4453 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4453 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2692 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2692 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2692 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2692 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4453 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4453 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9837 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9837 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6981 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6981 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6981 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6981 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9837 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9837 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9837 -1.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9837 -1.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4122 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4122 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1404 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1404 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8686 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8686 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8686 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8686 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1404 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1404 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4122 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4122 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4453 -1.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4453 -1.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6479 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6479 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5062 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5062 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1404 2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1404 2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6245 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6245 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2380 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2380 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9810 -1.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9810 -1.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7285 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7285 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1149 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1149 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3719 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3719 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9496 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9496 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8405 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8405 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7962 -0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7962 -0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0131 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0131 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6109 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6109 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1311 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1311 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4403 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4403 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7736 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7736 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2580 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2580 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9638 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9638 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3316 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3316 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8028 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8028 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6473 -0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6473 -0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2760 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2760 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8640 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8640 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1615 -2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1615 -2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6489 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6489 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0479 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0479 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6916 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6916 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2242 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2242 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6050 -2.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6050 -2.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8431 -1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8431 -1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3641 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3641 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3641 -2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3641 -2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5480 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5480 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7962 1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7962 1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9910 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9910 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7528 -1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7528 -1.7079 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 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 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 |
| − | 32 38 1 0 0 0 0 | + | 32 38 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 |
| − | 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 |
| − | 43 48 1 0 0 0 0 | + | 43 48 1 0 0 0 0 |
| − | 44 49 1 0 0 0 0 | + | 44 49 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 45 40 1 0 0 0 0 | + | 45 40 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 25 50 1 0 0 0 0 | + | 25 50 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 37 52 1 0 0 0 0 | + | 37 52 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 47 54 1 0 0 0 0 | + | 47 54 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 50 51 | + | M SAL 1 2 50 51 |
| − | M SBL 1 1 56 | + | M SBL 1 1 56 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 56 -0.6356 -0.0987 | + | M SBV 1 56 -0.6356 -0.0987 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 52 53 | + | M SAL 2 2 52 53 |
| − | M SBL 2 1 58 | + | M SBL 2 1 58 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 58 0.5842 -0.5790 | + | M SBV 2 58 0.5842 -0.5790 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 54 55 | + | M SAL 3 2 54 55 |
| − | M SBL 3 1 60 | + | M SBL 3 1 60 |
| − | M SMT 3 ^ CH2OH | + | M SMT 3 ^ CH2OH |
| − | M SBV 3 60 0.7669 -0.2396 | + | M SBV 3 60 0.7669 -0.2396 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGL0046 | + | ID FL5FACGL0046 |
| − | FORMULA C33H40O22 | + | FORMULA C33H40O22 |
| − | EXACTMASS 788.201122964 | + | EXACTMASS 788.201122964 |
| − | AVERAGEMASS 788.6575 | + | AVERAGEMASS 788.6575 |
| − | SMILES OCC(C(O)1)OC(OC(C(O)6)C(OC(CO)C(O)6)Oc(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(c5O)O)=C(OC(O4)C(O)C(C(O)C4CO)O)3)C(O)C(O)1 | + | SMILES OCC(C(O)1)OC(OC(C(O)6)C(OC(CO)C(O)6)Oc(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(c5O)O)=C(OC(O4)C(O)C(C(O)C4CO)O)3)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-1.1597 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1597 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4453 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2692 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4453 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6981 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6981 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -1.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8686 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8686 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4453 -1.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6479 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5062 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6245 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2380 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9810 -1.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7285 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1149 -0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3719 -1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8405 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7962 -0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0131 0.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6109 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1311 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4403 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2580 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9638 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3316 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8028 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6473 -0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2760 -2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8640 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1615 -2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6489 -1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0479 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6916 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2242 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6050 -2.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8431 -1.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3641 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3641 -2.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5480 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7962 1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9910 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7528 -1.7079 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
20 8 1 0 0 0 0
4 3 1 0 0 0 0
16 21 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
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
1 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
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 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
43 48 1 0 0 0 0
44 49 1 0 0 0 0
41 42 1 0 0 0 0
45 40 1 0 0 0 0
35 31 1 0 0 0 0
50 51 1 0 0 0 0
25 50 1 0 0 0 0
52 53 1 0 0 0 0
37 52 1 0 0 0 0
54 55 1 0 0 0 0
47 54 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 -0.6356 -0.0987
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 ^ CH2OH
M SBV 2 58 0.5842 -0.5790
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 54 55
M SBL 3 1 60
M SMT 3 ^ CH2OH
M SBV 3 60 0.7669 -0.2396
S SKP 5
ID FL5FACGL0046
FORMULA C33H40O22
EXACTMASS 788.201122964
AVERAGEMASS 788.6575
SMILES OCC(C(O)1)OC(OC(C(O)6)C(OC(CO)C(O)6)Oc(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(c5O)O)=C(OC(O4)C(O)C(C(O)C4CO)O)3)C(O)C(O)1
M END
