Mol:FL5FAAGL0027
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 51 56 0 0 0 0 0 0 0 0999 V2000 | + | 51 56 0 0 0 0 0 0 0 0999 V2000 |
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− | -4.0626 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0626 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.4073 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4073 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.7190 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7190 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2765 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2765 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0792 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0792 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8539 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8539 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2910 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2910 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5886 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5886 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4513 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4513 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8088 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8088 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0626 1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0626 1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1653 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1653 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.0919 -2.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0919 -2.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1328 -1.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1328 -1.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1508 -1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1508 -1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4939 -2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4939 -2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1288 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1288 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4999 -0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4999 -0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3215 -2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3215 -2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7566 -3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7566 -3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
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− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
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− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 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 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
− | 46 41 1 1 0 0 0 | + | 46 41 1 1 0 0 0 |
− | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
− | 44 48 1 0 0 0 0 | + | 44 48 1 0 0 0 0 |
− | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
− | 41 50 1 0 0 0 0 | + | 41 50 1 0 0 0 0 |
− | 42 51 1 0 0 0 0 | + | 42 51 1 0 0 0 0 |
− | 51 31 1 0 0 0 0 | + | 51 31 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAAGL0027 | + | ID FL5FAAGL0027 |
− | FORMULA C32H38O19 | + | FORMULA C32H38O19 |
− | EXACTMASS 726.200729034 | + | EXACTMASS 726.200729034 |
− | AVERAGEMASS 726.6327200000001 | + | AVERAGEMASS 726.6327200000001 |
− | SMILES c(c(O)1)(C(=O)3)c(OC(=C(OC(O5)C(C(O)C(C(COC(C(O)6)OC(C)C(C(O)6)O)5)O)OC(O4)C(O)C(C(O)C4)O)3)c(c2)ccc(c2)O)cc(c1)O | + | SMILES c(c(O)1)(C(=O)3)c(OC(=C(OC(O5)C(C(O)C(C(COC(C(O)6)OC(C)C(C(O)6)O)5)O)OC(O4)C(O)C(C(O)C4)O)3)c(c2)ccc(c2)O)cc(c1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -3.3618 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 2.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5578 1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5578 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 2.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -0.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 3.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 3.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 3.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9255 -0.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -1.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -1.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -2.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 -1.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 -1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 -2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 -1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 -0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 -2.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -2.5880 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 26 21 1 0 0 0 0 25 30 1 0 0 0 0 22 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 30 32 1 0 0 0 0 35 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 51 1 0 0 0 0 51 31 1 0 0 0 0 S SKP 5 ID FL5FAAGL0027 FORMULA C32H38O19 EXACTMASS 726.200729034 AVERAGEMASS 726.6327200000001 SMILES c(c(O)1)(C(=O)3)c(OC(=C(OC(O5)C(C(O)C(C(COC(C(O)6)OC(C)C(C(O)6)O)5)O)OC(O4)C(O)C(C(O)C4)O)3)c(c2)ccc(c2)O)cc(c1)O M END