Mol:FL7AACGL0038
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | -3.2222 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2222 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2222 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2222 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4776 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4776 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7329 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7329 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7329 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7329 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4776 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4776 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9882 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9882 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2435 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2435 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2435 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2435 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9882 1.5048 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.9882 1.5048 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.5009 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2599 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2599 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0189 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0189 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0189 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0189 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2599 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2599 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5009 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9667 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9667 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7776 2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7776 2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4776 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4776 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5417 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5417 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5814 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5814 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2224 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2224 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9129 -2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9129 -2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6075 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6075 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9667 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9667 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2762 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2762 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9364 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9364 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6839 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6839 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3249 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3249 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0154 -0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7100 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7100 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0691 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0691 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3787 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3787 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9773 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9773 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8912 0.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8912 0.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7336 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7336 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4729 -0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4729 -0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8279 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8279 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5651 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5651 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5637 -2.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5637 -2.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6075 -3.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6075 -3.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1456 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1456 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5208 -3.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5208 -3.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3206 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3206 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2599 3.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2599 3.6953 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 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
− | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
− | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
− | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
− | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
− | 15 45 1 0 0 0 0 | + | 15 45 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AACGL0038 | + | ID FL7AACGL0038 |
− | FORMULA C29H33O16 | + | FORMULA C29H33O16 |
− | EXACTMASS 637.176860008 | + | EXACTMASS 637.176860008 |
− | AVERAGEMASS 637.56272 | + | AVERAGEMASS 637.56272 |
− | SMILES c(c1c(c3OC(O4)C(O)C(O)C(C(COC(C(O)5)OC(C(OC(C)=O)C5O)C)4)O)[o+1]c(c(c3)2)cc(cc(O)2)O)cc(c(c1)O)O | + | SMILES c(c1c(c3OC(O4)C(O)C(O)C(C(COC(C(O)5)OC(C(OC(C)=O)C5O)C)4)O)[o+1]c(c(c3)2)cc(cc(O)2)O)cc(c(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.2222 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 1.5048 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.5009 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 -2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 -0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 0.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 -0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 -2.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 -3.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1456 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -3.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 3.6953 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 15 45 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGL0038 FORMULA C29H33O16 EXACTMASS 637.176860008 AVERAGEMASS 637.56272 SMILES c(c1c(c3OC(O4)C(O)C(O)C(C(COC(C(O)5)OC(C(OC(C)=O)C5O)C)4)O)[o+1]c(c(c3)2)cc(cc(O)2)O)cc(c(c1)O)O M END