Mol:FL3FA9CS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7404 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7404 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7404 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7404 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0260 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0260 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6885 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6885 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6885 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6885 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0260 -0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0260 -0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1174 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1174 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1174 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1174 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 -0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 -0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 -2.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 -2.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4546 -0.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4546 -0.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1241 2.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1241 2.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6535 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6535 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3236 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3236 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3148 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3148 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2804 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2804 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1115 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1115 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8909 2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8909 2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6535 2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6535 2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6423 0.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6423 0.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0260 -2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0260 -2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9111 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9111 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6640 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6640 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4169 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4169 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4169 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4169 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6640 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6640 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9111 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9111 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4077 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4077 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9309 -2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9309 -2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2445 -2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2445 -2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0635 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0635 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6641 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6641 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9201 -2.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9201 -2.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5616 -2.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5616 -2.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 -2.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 -2.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1906 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1906 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4169 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4169 -0.9907 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 2 1 0 0 0 0 | + | 32 2 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 43 0.5265 -0.5265 | + | M SBV 1 43 0.5265 -0.5265 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9CS0001 | + | ID FL3FA9CS0001 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES C(C(C1O)OC(c(c4O)c(O)c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(=O)C=C(c(c3)cccc3)O2)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c4O)c(O)c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(=O)C=C(c(c3)cccc3)O2)C(C1O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-0.7404 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0260 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6885 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6885 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0260 -0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -2.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 -0.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1241 2.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6535 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3148 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2804 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8909 2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6535 2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6423 0.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0260 -2.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9111 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4169 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4169 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9111 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4077 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9309 -2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2445 -2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0635 -1.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9201 -2.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5616 -2.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 -2.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1906 -1.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4169 -0.9907 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
38 39 1 0 0 0 0
34 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ CH2OH
M SBV 1 43 0.5265 -0.5265
S SKP 5
ID FL3FA9CS0001
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(C(C1O)OC(c(c4O)c(O)c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(=O)C=C(c(c3)cccc3)O2)C(C1O)O)O
M END
