Mol:FL3FAACS0058
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 |
| − | -2.0808 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0808 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0808 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0808 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3664 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3664 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.0625 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0625 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0625 -1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0625 -1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3664 -1.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3664 -1.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6501 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6501 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4029 0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4029 0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1558 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1558 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1558 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1558 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4029 2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4029 2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9083 2.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9083 2.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7951 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7951 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4088 2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4088 2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8829 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8829 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1258 1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1258 1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3952 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3952 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9261 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9261 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5885 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5885 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9083 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9083 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7725 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7725 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9541 3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9541 3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8987 2.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8987 2.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9494 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9494 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4236 -2.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4236 -2.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5567 -3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5567 -3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3424 -2.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3424 -2.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4149 -2.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4149 -2.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8661 -1.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8661 -1.2893 0.0000 O 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 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 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 |
| − | 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 2 1 0 0 0 0 | + | 34 2 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0058 | + | ID FL3FAACS0058 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES C(C1O)(O)C(C)OC(c(c4O)c(c(c(c4C(O5)C(C(C(O)C5C)O)O)3)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C1O | + | SMILES C(C1O)(O)C(C)OC(c(c4O)c(c(c(c4C(O5)C(C(C(O)C5C)O)O)3)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C1O |
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
-2.0808 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3664 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6519 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6519 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3664 0.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7770 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7770 0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 -1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3664 -1.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1558 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1558 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9083 2.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7951 0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4088 2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8829 1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1258 1.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3952 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9261 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5885 2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9083 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7725 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8987 2.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9494 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4236 -2.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3178 -1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5567 -3.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3424 -2.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4149 -2.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8661 -1.2893 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 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
25 29 1 0 0 0 0
26 30 1 0 0 0 0
6 24 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
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 2 1 0 0 0 0
S SKP 5
ID FL3FAACS0058
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES C(C1O)(O)C(C)OC(c(c4O)c(c(c(c4C(O5)C(C(C(O)C5C)O)O)3)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C1O
M END
