Mol:FL63ACGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8623 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8623 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8623 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8623 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1478 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1478 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5666 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5666 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5666 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5666 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1478 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1478 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2811 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2811 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9955 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9955 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9955 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9955 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2811 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2811 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7100 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7100 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4304 -0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4304 -0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1508 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1508 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1508 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1508 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4304 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4304 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7100 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7100 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8401 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8401 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1478 -2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1478 -2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5767 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5767 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7100 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7100 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4304 2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4304 2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2167 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2167 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7047 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7047 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9675 -0.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9675 -0.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2562 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2562 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7732 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7732 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4181 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4181 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8401 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8401 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3159 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3159 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3774 -0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3774 -0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL63ACGS0015 | + | ID FL63ACGS0015 |
| − | FORMULA C20H22O10 | + | FORMULA C20H22O10 |
| − | EXACTMASS 422.121296924 | + | EXACTMASS 422.121296924 |
| − | AVERAGEMASS 422.38268000000005 | + | AVERAGEMASS 422.38268000000005 |
| − | SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O | + | SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8623 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8623 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9955 -1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9955 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2811 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7100 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 -0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7100 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8401 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1478 -2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 0.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7100 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4304 2.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2167 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7047 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9675 -0.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2562 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7732 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8401 -0.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3159 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3774 -0.5593 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
17 14 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 1 0 0 0
15 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
25 19 1 0 0 0 0
S SKP 5
ID FL63ACGS0015
FORMULA C20H22O10
EXACTMASS 422.121296924
AVERAGEMASS 422.38268000000005
SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O
M END
