Mol:FL7AACGL0018
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 |
| − | -2.6246 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6246 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6246 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6246 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9234 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9234 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2222 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2222 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2222 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2222 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9234 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9234 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5210 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5210 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1802 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1802 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1802 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1802 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5210 1.8079 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.5210 1.8079 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8812 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8812 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5959 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5959 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3105 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3105 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3105 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3105 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5959 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5959 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8812 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8812 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9234 -0.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9234 -0.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5959 3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5959 3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9964 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9964 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5231 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5231 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6768 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6768 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9454 -1.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9454 -1.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6768 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6768 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5231 -3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5231 -3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2547 -2.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2547 -2.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4450 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4450 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8437 -2.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8437 -2.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2465 -3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2465 -3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3256 1.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3256 1.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1516 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1516 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7638 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7638 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5159 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5159 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3817 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3817 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7694 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7694 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0172 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0172 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1877 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1877 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8217 0.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8217 0.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1054 -0.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1054 -0.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0249 3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0249 3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5654 -0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5654 -0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0591 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0591 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3300 -0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3300 -0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6265 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6265 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1377 -0.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1377 -0.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7755 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7755 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2257 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2257 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7625 -1.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7625 -1.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7459 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7459 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4903 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4903 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2257 1.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2257 1.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1586 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1586 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1011 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1011 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6443 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6443 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6107 -3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6107 -3.2708 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 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 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 14 39 1 0 0 0 0 | + | 14 39 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 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 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 40 1 0 0 0 0 | + | 45 40 1 0 0 0 0 |
| − | 40 46 1 0 0 0 0 | + | 40 46 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 17 1 0 0 0 0 | + | 43 17 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 34 49 1 0 0 0 0 | + | 34 49 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 23 53 1 0 0 0 0 | + | 23 53 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 -0.7209 -0.2418 | + | M SBV 1 55 -0.7209 -0.2418 |
| − | 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 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 57 0.3831 -0.5327 | + | M SBV 2 57 0.3831 -0.5327 |
| − | 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 0.0325 0.7407 | + | M SBV 3 59 0.0325 0.7407 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0018 | + | ID FL7AACGL0018 |
| − | FORMULA C33H41O21 | + | FORMULA C33H41O21 |
| − | EXACTMASS 773.214033374 | + | EXACTMASS 773.214033374 |
| − | AVERAGEMASS 773.66604 | + | AVERAGEMASS 773.66604 |
| − | SMILES OCC(O1)C(O)C(C(O)C1Oc(c6)c(c3)c(cc(O)6)[o+1]c(c(OC(C4OC(C(O)5)OC(CO)C(O)C5O)OC(C(O)C4O)CO)3)c(c2)cc(c(O)c2)O)O | + | SMILES OCC(O1)C(O)C(C(O)C1Oc(c6)c(c3)c(cc(O)6)[o+1]c(c(OC(C4OC(C(O)5)OC(CO)C(O)C5O)OC(C(O)C4O)CO)3)c(c2)cc(c(O)c2)O)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
-2.6246 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9234 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9234 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1802 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1802 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 1.8079 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.8812 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5959 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3105 1.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3105 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5959 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8812 2.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9234 -0.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5959 3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9964 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6768 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9454 -1.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6768 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2547 -2.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4450 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8437 -2.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2465 -3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3256 1.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1516 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5159 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7694 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0172 0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1877 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8217 0.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1054 -0.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 -0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0591 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3300 -0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6265 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1377 -0.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7755 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2257 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7625 -1.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7459 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4903 0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2257 1.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1586 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1011 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6443 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6107 -3.2708 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
3 4 1 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
3 17 1 0 0 0 0
15 18 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
1 29 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
31 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
30 26 1 0 0 0 0
14 39 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 17 1 0 0 0 0
49 50 1 0 0 0 0
34 49 1 0 0 0 0
51 52 1 0 0 0 0
45 51 1 0 0 0 0
53 54 1 0 0 0 0
23 53 1 0 0 0 0
M CHG 1 10 1
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 -0.7209 -0.2418
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 ^ CH2OH
M SBV 2 57 0.3831 -0.5327
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 0.0325 0.7407
S SKP 5
ID FL7AACGL0018
FORMULA C33H41O21
EXACTMASS 773.214033374
AVERAGEMASS 773.66604
SMILES OCC(O1)C(O)C(C(O)C1Oc(c6)c(c3)c(cc(O)6)[o+1]c(c(OC(C4OC(C(O)5)OC(CO)C(O)C5O)OC(C(O)C4O)CO)3)c(c2)cc(c(O)c2)O)O
M END
