Mol:FL3FCAGS0005
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 |
| − | -2.7281 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7281 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7281 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7281 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2992 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2992 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5848 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5848 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1297 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1297 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1297 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1297 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5848 1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5848 1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8442 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8442 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2730 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2730 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2730 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2730 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8442 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8442 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5848 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5848 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0193 3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0193 3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4477 1.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4477 1.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1204 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1204 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9172 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9172 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6257 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6257 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4052 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4052 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6206 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6206 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9119 1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9119 1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1324 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1324 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4777 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4777 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8177 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8177 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5618 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5618 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3644 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3644 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1204 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1204 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8933 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8933 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5441 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5441 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4292 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4292 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7469 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7469 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0962 -0.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 -0.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2109 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2109 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2919 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2919 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1110 -3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1110 -3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9902 -2.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9902 -2.0065 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 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 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 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 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 29 1 0 0 0 0 | + | 36 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCAGS0005 | + | ID FL3FCAGS0005 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES Oc(c51)cc(cc(OC(=CC(=O)5)c(c2)ccc(OC(O3)C(C(O)C(C3COC(O4)C(O)C(C(O)C4)O)O)O)c2)1)OC | + | SMILES Oc(c51)cc(cc(OC(=CC(=O)5)c(c2)ccc(OC(O3)C(C(O)C(C3COC(O4)C(O)C(C(O)C4)O)O)O)c2)1)OC |
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
-2.7281 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7281 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1297 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1297 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8442 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 2.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8442 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -0.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0193 3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4477 1.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1204 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9172 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6257 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6206 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9119 1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1324 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4777 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5618 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1204 1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4292 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 -0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -0.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2109 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2919 -1.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1110 -3.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -2.0065 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
21 20 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 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 29 1 0 0 0 0
S SKP 5
ID FL3FCAGS0005
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES Oc(c51)cc(cc(OC(=CC(=O)5)c(c2)ccc(OC(O3)C(C(O)C(C3COC(O4)C(O)C(C(O)C4)O)O)O)c2)1)OC
M END
