Mol:FL1A3CGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.2478 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2478 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2478 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2478 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6768 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6768 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6768 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6768 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5368 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5368 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0217 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0217 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5368 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5368 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4942 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4942 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6294 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6294 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8456 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8456 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2588 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2588 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0851 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0851 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4983 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4983 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0851 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0851 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2588 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2588 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3232 -0.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3232 -0.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7353 -2.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7353 -2.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4976 0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4976 0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0378 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0378 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5271 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5271 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7916 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7916 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0820 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0820 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5976 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5976 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2410 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2410 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0675 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0675 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3232 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3232 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0771 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0771 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8057 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8057 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2196 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2196 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4236 1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4236 1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6228 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6228 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2088 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2088 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0049 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0049 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6026 1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6026 1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5175 1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5175 1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4352 1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4352 1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6052 0.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6052 0.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0286 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0286 2.1284 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 |
| − | 24 10 1 0 0 0 0 | + | 24 10 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 3 39 1 0 0 0 0 | + | 3 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 44 -0.3570 -0.7739 | + | M SBV 1 44 -0.3570 -0.7739 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1A3CGS0008 | + | ID FL1A3CGS0008 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES O=c(c25)c(oc2c(c(cc5)OC(C(O)4)OCC(C4O)OC(C3O)OCC(C3O)O)OC)=Cc(c1)cc(c(O)c1)O | + | SMILES O=c(c25)c(oc2c(c(cc5)OC(C(O)4)OCC(C4O)OC(C3O)OCC(C3O)O)OC)=Cc(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/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.2478 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2478 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6768 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6768 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 -1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0217 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6294 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8456 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2588 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0851 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4983 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0851 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2588 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3232 -0.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 -2.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4976 0.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0378 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5271 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7916 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0820 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5976 0.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2410 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0675 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3232 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0771 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8057 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2196 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4236 1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6228 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2088 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0049 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6026 1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5175 1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4352 1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 0.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0286 2.1284 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 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
24 10 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
27 31 1 0 0 0 0
39 40 1 0 0 0 0
3 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 OCH3
M SBV 1 44 -0.3570 -0.7739
S SKP 5
ID FL1A3CGS0008
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES O=c(c25)c(oc2c(c(cc5)OC(C(O)4)OCC(C4O)OC(C3O)OCC(C3O)O)OC)=Cc(c1)cc(c(O)c1)O
M END
