Mol:FL3FAACS0070
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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| − | -0.3758 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3758 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7614 -0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7614 -0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0531 -2.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0531 -2.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.6456 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6456 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0609 0.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0609 0.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5750 2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5750 2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.8253 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8253 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
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| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
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| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
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| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 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 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 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 |
| − | 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 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 15 34 1 0 0 0 0 | + | 15 34 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0070 | + | ID FL3FAACS0070 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES C(C(C5O)OC(C(C5O)O)c(c2O)c(O)c(c(O3)c2C(=O)C=C3c(c4)ccc(O)c4)C(O1)C(C(C(O)C1C)O)O)O | + | SMILES C(C(C5O)OC(C(C5O)O)c(c2O)c(O)c(c(O3)c2C(=O)C=C3c(c4)ccc(O)c4)C(O1)C(C(C(O)C1C)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/
41 45 0 0 0 0 0 0 0 0999 V2000
2.5213 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2357 -0.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9502 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9502 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2357 0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7676 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 -0.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7676 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3758 -0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 -0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 -1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3758 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 -0.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3758 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 -2.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5531 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6589 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4343 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6456 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0609 0.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5750 2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8298 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4171 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 -1.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 -1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0363 -1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5409 -0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2009 -0.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5531 -1.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2050 -1.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9842 -2.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 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
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 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
36 37 1 0 0 0 0
37 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
15 34 1 0 0 0 0
13 24 1 0 0 0 0
S SKP 5
ID FL3FAACS0070
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(C(C5O)OC(C(C5O)O)c(c2O)c(O)c(c(O3)c2C(=O)C=C3c(c4)ccc(O)c4)C(O1)C(C(C(O)C1C)O)O)O
M END
