Mol:FL4DACGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2885 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2885 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5743 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5743 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8602 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8602 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8602 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8602 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5743 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5743 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2885 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2885 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1460 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1460 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4318 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4318 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4318 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4318 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1460 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1460 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1460 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1460 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3631 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3631 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0880 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0880 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8129 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8129 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8129 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8129 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0880 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0880 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3631 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3631 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9065 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9065 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2102 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2102 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5380 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5380 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5743 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5743 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0880 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0880 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4095 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4095 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9970 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9970 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7902 -1.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7902 -1.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5882 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5882 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2199 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2199 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2075 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2075 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7066 -1.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7066 -1.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7623 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7623 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9065 -1.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9065 -1.3707 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 1 0 0 0 | + | 9 12 1 1 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 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 |
| − | 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0005 | + | ID FL4DACGS0005 |
| − | FORMULA C20H20O11 | + | FORMULA C20H20O11 |
| − | EXACTMASS 436.100561482 | + | EXACTMASS 436.100561482 |
| − | AVERAGEMASS 436.3662 | + | AVERAGEMASS 436.3662 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(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/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.2885 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5743 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5743 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2885 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 -1.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4318 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3631 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8129 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8129 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3631 1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2102 -1.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5380 1.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5743 -2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 2.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9970 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7902 -1.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 -1.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2199 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 -1.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7623 -0.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 -1.3707 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 1 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
6 18 1 0 0 0 0
8 19 1 6 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 19 1 0 0 0 0
S SKP 5
ID FL4DACGS0005
FORMULA C20H20O11
EXACTMASS 436.100561482
AVERAGEMASS 436.3662
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
