Mol:FL7AAAGL0068
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 61 67 0 0 0 0 0 0 0 0999 V2000 | + | 61 67 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.4495 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4495 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4495 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4495 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1640 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1640 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8784 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8784 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8784 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8784 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1640 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1640 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.3073 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3073 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3073 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3073 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.0838 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0838 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7983 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7983 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5128 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5128 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.7983 3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7983 3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0838 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0838 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1530 3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1530 3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1305 2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1305 2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1640 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1640 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9575 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9575 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4182 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4182 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6210 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6210 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2045 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2045 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4829 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4829 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2801 2.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2801 2.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6968 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6968 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4307 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4307 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.6208 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6630 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6630 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1192 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1192 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3132 0.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3132 0.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.3898 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3898 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1356 -2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1356 -2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9991 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9991 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6630 -3.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6630 -3.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4842 -2.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4842 -2.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6207 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6207 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9567 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9567 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4625 -3.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 -3.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3811 -3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3811 -3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7275 -3.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7275 -3.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 2.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 2.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8735 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8735 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4615 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4615 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6791 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6791 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0916 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0916 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9166 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9166 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3291 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3291 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9166 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9166 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0916 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0916 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1530 2.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1530 2.7828 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 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 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 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 |
| − | 42 49 1 0 0 0 0 | + | 42 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 41 46 1 0 0 0 0 | + | 41 46 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 52 27 1 0 0 0 0 | + | 52 27 1 0 0 0 0 |
| − | 55 53 1 0 0 0 0 | + | 55 53 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGL0068 | + | ID FL7AAAGL0068 |
| − | FORMULA C40H45O21 | + | FORMULA C40H45O21 |
| − | EXACTMASS 861.245333502 | + | EXACTMASS 861.245333502 |
| − | AVERAGEMASS 861.7727 | + | AVERAGEMASS 861.7727 |
| − | SMILES c(c1)(OC(C7O)OC(C(O)C7O)COC(c(c6)ccc(c6)O)=O)cc([o+1]4)c(cc(c(c(c5)ccc(O)c5)4)OC(C2O)OC(COC(C3O)OC(C)C(O)C(O)3)C(O)C2O)c(O)1 | + | SMILES c(c1)(OC(C7O)OC(C(O)C7O)COC(c(c6)ccc(c6)O)=O)cc([o+1]4)c(cc(c(c(c5)ccc(O)c5)4)OC(C2O)OC(COC(C3O)OC(C)C(O)C(O)3)C(O)C2O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
0.4495 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 2.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 1.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3073 2.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 2.6515 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
4.0838 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 2.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5128 2.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5128 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0838 3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1530 3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1305 2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9575 1.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4182 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6210 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4829 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2801 2.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4307 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6825 0.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0029 0.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2737 1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6630 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1192 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3132 0.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2710 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4257 -0.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5283 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7725 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3898 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1356 -2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -3.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 -3.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4842 -2.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6207 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -3.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 -3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7275 -3.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 2.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8735 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6791 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9166 3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3291 2.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9166 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1530 2.7828 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 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
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
18 24 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
33 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
43 48 1 0 0 0 0
42 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
41 46 1 0 0 0 0
34 20 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
52 27 1 0 0 0 0
55 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0068
FORMULA C40H45O21
EXACTMASS 861.245333502
AVERAGEMASS 861.7727
SMILES c(c1)(OC(C7O)OC(C(O)C7O)COC(c(c6)ccc(c6)O)=O)cc([o+1]4)c(cc(c(c(c5)ccc(O)c5)4)OC(C2O)OC(COC(C3O)OC(C)C(O)C(O)3)C(O)C2O)c(O)1
M END
