Mol:FL3FACGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.2644 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2644 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.6302 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6302 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6302 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6302 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9980 1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9980 1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.4501 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4501 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.9300 0.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9300 0.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9731 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9731 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6707 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6707 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0335 -0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0335 -0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2285 -0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2285 -0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
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| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
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| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
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| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 32 31 1 0 0 0 0 | + | 32 31 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 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 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 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 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0021 | + | ID FL3FACGS0021 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES O(C1OC(C2Oc(c3)cc(c(C(=O)5)c3OC(=C5)c(c4)cc(c(c4)O)O)O)C(C(O)C(CO)O2)O)CC(C(O)C1O)O | + | SMILES O(C1OC(C2Oc(c3)cc(c(C(=O)5)c3OC(=C5)c(c4)cc(c(c4)O)O)O)C(C(O)C(CO)O2)O)CC(C(O)C1O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
0.2644 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2644 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8847 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8847 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1253 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1253 0.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1253 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6302 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6302 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8847 -1.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4475 1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9980 2.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2205 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1994 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 0.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9731 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6707 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0335 -0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2285 -0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4560 0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2614 0.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8324 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1233 -2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1022 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8330 -1.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8759 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4475 -1.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9411 -2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -2.1879 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 1 0 0 0 0
32 31 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 30 1 0 0 0 0
S SKP 5
ID FL3FACGS0021
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES O(C1OC(C2Oc(c3)cc(c(C(=O)5)c3OC(=C5)c(c4)cc(c(c4)O)O)O)C(C(O)C(CO)O2)O)CC(C(O)C1O)O
M END
