Mol:FL7AAGGL0044
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 60 65 0 0 0 0 0 0 0 0999 V2000 | + | 60 65 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.1290 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1290 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8434 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8434 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.4778 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4778 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1923 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1923 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.7634 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7634 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8325 2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8325 2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8453 -0.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8453 -0.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4510 1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4510 1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8434 -0.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8434 -0.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4778 3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4778 3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8573 1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8573 1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2671 -1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2671 -1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9989 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9989 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5602 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5602 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3514 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3514 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7903 -1.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7903 -1.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3589 -2.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3589 -2.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5442 -1.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5442 -1.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.3371 -3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3371 -3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7499 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7499 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9563 -2.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9563 -2.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3531 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3531 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0536 -3.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0536 -3.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2284 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2284 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0724 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0724 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3406 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3406 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.9881 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9881 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7199 1.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7199 1.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2813 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2813 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8964 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8964 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3842 -0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3842 -0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8348 -0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8348 -0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0221 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0221 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1377 -2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1377 -2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1418 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1418 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8573 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8573 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4303 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4303 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4344 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4344 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1499 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1499 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7229 0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7229 0.4197 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 38 32 1 0 0 0 0 | + | 38 32 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 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 46 53 1 0 0 0 0 | + | 46 53 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 58 60 1 0 0 0 0 | + | 58 60 1 0 0 0 0 |
| − | 60 50 1 0 0 0 0 | + | 60 50 1 0 0 0 0 |
| − | 19 47 1 0 0 0 0 | + | 19 47 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0044 | + | ID FL7AAGGL0044 |
| − | FORMULA C36H43O24 | + | FORMULA C36H43O24 |
| − | EXACTMASS 859.2144273040001 | + | EXACTMASS 859.2144273040001 |
| − | AVERAGEMASS 859.71222 | + | AVERAGEMASS 859.71222 |
| − | SMILES c(c5)(OC(C6O)OC(C(O)C(O)6)COC(=O)CC(O)=O)cc(c(c51)cc(OC(O4)C(C(C(O)C4CO)O)OC(C(O)3)OC(C)C(O)C3O)c(c(c2)cc(O)c(c2O)O)[o+1]1)O | + | SMILES c(c5)(OC(C6O)OC(C(O)C(O)6)COC(=O)CC(O)=O)cc(c(c51)cc(OC(O4)C(C(C(O)C4CO)O)OC(C(O)3)OC(C)C(O)C3O)c(c(c2)cc(O)c(c2O)O)[o+1]1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
60 65 0 0 0 0 0 0 0 0999 V2000
0.1290 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1290 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8434 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8434 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2724 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9868 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9868 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2724 1.6699 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.7634 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4778 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1923 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1923 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4778 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8325 2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8453 -0.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8434 -0.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4778 3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8573 1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2671 -1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9989 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6196 -0.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0582 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5508 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7903 -1.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3589 -2.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5442 -1.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8256 -1.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1580 -2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7453 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5388 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 -3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7499 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9563 -2.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3531 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0536 -3.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2284 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5458 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0724 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9881 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7199 1.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2813 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8964 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3842 -0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 -0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0221 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1377 -2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1418 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8573 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4303 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4344 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1499 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7229 0.4197 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 32 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
46 53 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 50 1 0 0 0 0
19 47 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0044
FORMULA C36H43O24
EXACTMASS 859.2144273040001
AVERAGEMASS 859.71222
SMILES c(c5)(OC(C6O)OC(C(O)C(O)6)COC(=O)CC(O)=O)cc(c(c51)cc(OC(O4)C(C(C(O)C4CO)O)OC(C(O)3)OC(C)C(O)C3O)c(c(c2)cc(O)c(c2O)O)[o+1]1)O
M END
