Mol:FL3FAACS0059
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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− | -2.7243 0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7243 0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.4290 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4290 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.9550 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9550 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1352 -0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1352 -0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8231 -3.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8231 -3.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4837 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4837 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9579 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9579 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2006 2.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2006 2.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.6698 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6698 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
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− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
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− | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
− | 18 13 1 1 0 0 0 | + | 18 13 1 1 0 0 0 |
− | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 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 |
− | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
− | 9 27 1 0 0 0 0 | + | 9 27 1 0 0 0 0 |
− | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
− | 3 34 1 0 0 0 0 | + | 3 34 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 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 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
− | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
− | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
− | 38 19 1 0 0 0 0 | + | 38 19 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAACS0059 | + | ID FL3FAACS0059 |
− | FORMULA C29H32O15 | + | FORMULA C29H32O15 |
− | EXACTMASS 620.174120354 | + | EXACTMASS 620.174120354 |
− | AVERAGEMASS 620.55538 | + | AVERAGEMASS 620.55538 |
− | SMILES Oc(c34)cc(O)c(c3OC(c(c5)ccc(c5)O)=CC4=O)C(O1)C(C(C(OC(O2)C(C(O)C(C(C)2)O)O)C1COC(C)=O)O)O | + | SMILES Oc(c34)cc(O)c(c3OC(c(c5)ccc(c5)O)=CC4=O)C(O1)C(C(C(OC(O2)C(C(O)C(C(C)2)O)O)C1COC(C)=O)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 -1.5376 -1.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 -1.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -1.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -3.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -1.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4771 -0.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 -0.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4771 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4751 -0.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 -1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -3.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 2.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 2.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 2.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 3.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 3.3411 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 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 9 27 1 0 0 0 0 30 33 1 0 0 0 0 3 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 38 19 1 0 0 0 0 S SKP 5 ID FL3FAACS0059 FORMULA C29H32O15 EXACTMASS 620.174120354 AVERAGEMASS 620.55538 SMILES Oc(c34)cc(O)c(c3OC(c(c5)ccc(c5)O)=CC4=O)C(O1)C(C(C(OC(O2)C(C(O)C(C(C)2)O)O)C1COC(C)=O)O)O M END