Mol:FL5FCAGS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 54 59 0 0 0 0 0 0 0 0999 V2000 | + | 54 59 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5046 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5046 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5046 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5046 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2191 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2191 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9335 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9335 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9335 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9335 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2191 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2191 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7901 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7901 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0757 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0757 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6388 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6388 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6388 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6388 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0757 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0757 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7901 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7901 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3532 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3532 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0676 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0676 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0676 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0676 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3532 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3532 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0785 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0785 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4678 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4678 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5147 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5147 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3532 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3532 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3686 4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3686 4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9781 3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9781 3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5761 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5761 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8008 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8008 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1914 3.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1914 3.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5934 3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5934 3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7255 4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7255 4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6130 4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6130 4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3349 2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3349 2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5496 -3.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5496 -3.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2617 -3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2617 -3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6214 -2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6214 -2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3093 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3093 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4979 -1.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4979 -1.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1382 -2.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1382 -2.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 -3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 -3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3762 -3.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3762 -3.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5779 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5779 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7990 -3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7990 -3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8635 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8635 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3892 -4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3892 -4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1656 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1656 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1012 -2.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1012 -2.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5755 -3.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5755 -3.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6546 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6546 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3786 -4.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3786 -4.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3366 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3366 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3873 -4.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3873 -4.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7447 -2.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7447 -2.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1556 -3.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1556 -3.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7821 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7821 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5147 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5147 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8745 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8745 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2540 4.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2540 4.8102 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 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 |
| − | 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
| − | 42 45 1 0 0 0 0 | + | 42 45 1 0 0 0 0 |
| − | 41 46 1 0 0 0 0 | + | 41 46 1 0 0 0 0 |
| − | 40 47 1 0 0 0 0 | + | 40 47 1 0 0 0 0 |
| − | 39 48 1 0 0 0 0 | + | 39 48 1 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 33 18 1 0 0 0 0 | + | 33 18 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 35 49 1 0 0 0 0 | + | 35 49 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 14 51 1 0 0 0 0 | + | 14 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 26 53 1 0 0 0 0 | + | 26 53 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 49 50 | + | M SAL 1 2 49 50 |
| − | M SBL 1 1 55 | + | M SBL 1 1 55 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 55 0.8828 0.1140 | + | M SBV 1 55 0.8828 0.1140 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 51 52 | + | M SAL 2 2 51 52 |
| − | M SBL 2 1 57 | + | M SBL 2 1 57 |
| − | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
| − | M SBV 2 57 0.7145 -0.4125 | + | M SBV 2 57 0.7145 -0.4125 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 53 54 | + | M SAL 3 2 53 54 |
| − | M SBL 3 1 59 | + | M SBL 3 1 59 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 59 -0.2811 -0.7328 | + | M SBV 3 59 -0.2811 -0.7328 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCAGS0011 | + | ID FL5FCAGS0011 |
| − | FORMULA C34H42O20 | + | FORMULA C34H42O20 |
| − | EXACTMASS 770.226943784 | + | EXACTMASS 770.226943784 |
| − | AVERAGEMASS 770.6852799999999 | + | AVERAGEMASS 770.6852799999999 |
| − | SMILES OC(C(O)6)C(OC(C6O)C)OC(C5O)C(OC(C5O)CO)OC(=C(c(c3)ccc(OC(O4)C(O)C(C(C4CO)O)O)c3)2)C(c(c(O2)1)c(O)cc(c1)OC)=O | + | SMILES OC(C(O)6)C(OC(C6O)C)OC(C5O)C(OC(C5O)CO)OC(=C(c(c3)ccc(OC(O4)C(O)C(C(C4CO)O)O)c3)2)C(c(c(O2)1)c(O)cc(c1)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
1.5046 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5046 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2191 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2191 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0757 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0757 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3532 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0676 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3532 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0785 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4678 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5147 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3532 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3686 4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5761 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8008 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1914 3.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5934 3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7255 4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6130 4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5496 -3.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2617 -3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6214 -2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3093 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4979 -1.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 -2.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 -3.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5779 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 -3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8635 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3892 -4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1656 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1012 -2.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 -3.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6546 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -4.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3873 -4.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7447 -2.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1556 -3.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7821 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 4.8102 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
11 17 2 0 0 0 0
12 18 1 0 0 0 0
5 19 1 0 0 0 0
16 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
42 45 1 0 0 0 0
41 46 1 0 0 0 0
40 47 1 0 0 0 0
39 48 1 0 0 0 0
43 38 1 0 0 0 0
33 18 1 0 0 0 0
49 50 1 0 0 0 0
35 49 1 0 0 0 0
51 52 1 0 0 0 0
14 51 1 0 0 0 0
53 54 1 0 0 0 0
26 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 ^ CH2OH
M SBV 1 55 0.8828 0.1140
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 ^ OCH3
M SBV 2 57 0.7145 -0.4125
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 53 54
M SBL 3 1 59
M SMT 3 CH2OH
M SBV 3 59 -0.2811 -0.7328
S SKP 5
ID FL5FCAGS0011
FORMULA C34H42O20
EXACTMASS 770.226943784
AVERAGEMASS 770.6852799999999
SMILES OC(C(O)6)C(OC(C6O)C)OC(C5O)C(OC(C5O)CO)OC(=C(c(c3)ccc(OC(O4)C(O)C(C(C4CO)O)O)c3)2)C(c(c(O2)1)c(O)cc(c1)OC)=O
M END
