Mol:FL3FAACS0049
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.3442 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3442 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3442 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3442 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6297 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6297 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0848 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0848 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0848 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0848 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6297 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6297 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7992 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7992 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5137 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5137 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5137 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5137 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7992 -0.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7992 -0.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7992 -2.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7992 -2.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0584 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0584 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6297 -2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6297 -2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3073 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3073 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0601 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0601 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8131 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8131 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8131 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8131 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0601 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0601 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3073 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3073 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5655 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5655 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3265 2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3265 2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1043 1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1043 1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7743 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7743 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7655 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7655 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1704 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1704 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5622 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5622 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7019 2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7019 2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1043 2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1043 2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2506 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2506 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9056 -1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9056 -1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4288 -2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4288 -2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7424 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7424 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0801 -2.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0801 -2.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5613 -1.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5613 -1.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1618 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1618 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5655 -2.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5655 -2.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1719 -2.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1719 -2.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2664 -2.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2664 -2.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6805 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6805 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6570 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6570 -1.7037 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 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 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 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 44 0.5187 -0.5187 | + | M SBV 1 44 0.5187 -0.5187 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0049 | + | ID FL3FAACS0049 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O | + | SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O |
M END | M END | ||
| − | |||
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
-1.3442 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3442 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6297 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0848 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0848 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6297 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 -2.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5137 -1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5137 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 -0.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 -2.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0584 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6297 -2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3073 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0601 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8131 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8131 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0601 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3073 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5655 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3265 2.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7743 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7655 0.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1704 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5622 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 2.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 2.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2506 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9056 -1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7424 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0801 -2.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 -1.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1618 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5655 -2.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1719 -2.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 -2.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6805 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6570 -1.7037 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
3 13 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
14 9 1 0 0 0 0
17 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
23 29 1 0 0 0 0
6 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
35 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 0.5187 -0.5187
S SKP 5
ID FL3FAACS0049
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C(C1O)OC(c(c4O)c(c(c3c4C(O5)C(O)C(O)C(O)C5)C(=O)C=C(O3)c(c2)ccc(O)c2)O)C(C1O)O)O
M END
