Mol:FL3FAACS0060
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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− | -2.7270 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7270 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 21 33 1 0 0 0 0 | + | 21 33 1 0 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 |
− | 34 36 2 0 0 0 0 | + | 34 36 2 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
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− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 3 44 1 0 0 0 0 | + | 3 44 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAACS0060 | + | ID FL3FAACS0060 |
− | FORMULA C29H32O15 | + | FORMULA C29H32O15 |
− | EXACTMASS 620.174120354 | + | EXACTMASS 620.174120354 |
− | AVERAGEMASS 620.55538 | + | AVERAGEMASS 620.55538 |
− | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(c(C(O2)C(OC(O3)C(O)C(O)C(O)C(C)3)C(O)C(O)C(COC(C)=O)2)1)O)O | + | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(c(C(O2)C(OC(O3)C(O)C(O)C(O)C(C)3)C(O)C(O)C(COC(C)=O)2)1)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/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.5403 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1114 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -0.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -3.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 0.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9819 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 2.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2483 1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 2.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 2.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 0.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 2.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2843 1.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2843 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0696 3.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7354 2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 1.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 1.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 -3.2927 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 1 12 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 13 1 1 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 15 22 1 0 0 0 0 6 14 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 28 31 1 0 0 0 0 22 26 1 0 0 0 0 27 32 1 0 0 0 0 21 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 9 37 1 0 0 0 0 40 43 1 0 0 0 0 3 44 1 0 0 0 0 S SKP 5 ID FL3FAACS0060 FORMULA C29H32O15 EXACTMASS 620.174120354 AVERAGEMASS 620.55538 SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(c(C(O2)C(OC(O3)C(O)C(O)C(O)C(C)3)C(O)C(O)C(COC(C)=O)2)1)O)O M END