Mol:FL3FAGCS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4880 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4880 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4880 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4880 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0591 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0591 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.2022 -0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2022 -0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9164 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9164 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6694 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6694 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6694 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6694 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9164 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9164 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4218 1.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4218 1.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3099 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3099 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9799 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9799 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9712 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9712 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3760 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3760 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7679 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7679 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0572 2.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0572 2.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3547 2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3547 2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3980 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3980 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4218 -0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4218 -0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1553 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1553 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6787 -2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6787 -2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9922 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9922 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3297 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3297 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8111 -1.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8111 -1.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.9844 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9844 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5843 -2.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5843 -2.6748 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 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 |
| − | 14 9 1 0 0 0 0 | + | 14 9 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 2 1 0 0 0 0 | + | 34 2 1 0 0 0 0 |
| − | 18 40 1 0 0 0 0 | + | 18 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAGCS0006 | + | ID FL3FAGCS0006 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)cc(O)c(c3O)O)2)=O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)cc(O)c(c3O)O)2)=O)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/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.4880 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4880 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 -1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -0.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -2.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2022 -0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6694 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6694 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4218 1.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5322 2.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3099 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9799 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3760 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 2.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3547 2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4218 -0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1553 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6787 -2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9922 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8111 -1.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4117 -2.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9844 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4218 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5843 -2.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 1.8763 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
3 13 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
14 9 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
6 24 1 0 0 0 0
16 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 2 1 0 0 0 0
18 40 1 0 0 0 0
S SKP 5
ID FL3FAGCS0006
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)cc(O)c(c3O)O)2)=O)O)O)O
M END
