Mol:FL3FABCS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2585 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2585 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5441 1.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5441 1.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8296 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8296 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8296 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8296 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5441 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5441 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2585 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2585 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1151 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1151 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5993 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5993 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5993 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5993 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1151 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1151 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2451 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2451 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1151 -1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1151 -1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5441 -0.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5441 -0.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7548 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7548 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4692 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4692 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4692 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4692 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7548 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7548 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0403 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0403 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0844 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0844 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2116 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2116 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7289 -0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7289 -0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9558 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9558 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1434 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1434 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6261 0.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6261 0.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3993 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3993 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7988 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7988 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5311 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5311 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7246 0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7246 0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4917 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4917 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5240 -0.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5240 -0.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7424 2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7424 2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8748 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8748 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2874 -1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2874 -1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4939 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4939 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6956 -1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6956 -1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2828 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2828 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0764 -1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0764 -1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6590 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6590 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9687 -2.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9687 -2.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7424 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7424 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5268 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5268 -1.2841 0.0000 C 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
| − | 20 32 1 0 0 0 0 | + | 20 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 30 1 0 0 0 0 | + | 37 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABCS0008 | + | ID FL3FABCS0008 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES OC(C1c(c5O)c(O)c(C(=O)3)c(c5)OC(c(c4)ccc(OC)c4)=C3)C(OC(C2O)OC(C)C(O)C2O)C(C(O1)CO)O | + | SMILES OC(C1c(c5O)c(O)c(C(=O)3)c(c5)OC(c(c4)ccc(OC)c4)=C3)C(OC(C2O)OC(C)C(O)C2O)C(C(O1)CO)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/
42 46 0 0 0 0 0 0 0 0999 V2000
2.2585 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 1.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2585 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 -1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -0.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4692 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4692 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0844 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2116 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 -0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9558 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1434 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6261 0.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3993 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7988 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5311 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7246 0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4917 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 -0.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7424 2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8748 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2874 -1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4939 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 -1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2828 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0764 -1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9687 -2.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7424 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5268 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 9 1 0 0 0 0
20 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 30 1 0 0 0 0
S SKP 5
ID FL3FABCS0008
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES OC(C1c(c5O)c(O)c(C(=O)3)c(c5)OC(c(c4)ccc(OC)c4)=C3)C(OC(C2O)OC(C)C(O)C2O)C(C(O1)CO)O
M END
