Mol:FL3FAACS0018
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 |
| − | -1.5017 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5017 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5017 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5017 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7873 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7873 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0728 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0728 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0728 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0728 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7873 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7873 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6416 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6416 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3561 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3561 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3561 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3561 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6416 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6416 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6416 -2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6416 -2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2160 -0.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2160 -0.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5546 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5546 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3324 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3324 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0025 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0025 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9936 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9936 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3986 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3986 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7903 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7903 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0201 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0201 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3771 2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3771 2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4617 0.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4617 0.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7873 -2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7873 -2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1498 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1498 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9027 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9027 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6555 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6555 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6555 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6555 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9027 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9027 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1498 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1498 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4079 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4079 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8217 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8217 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3449 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3449 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6585 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6585 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9962 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9962 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4775 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4775 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0781 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0781 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4079 -1.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4079 -1.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9239 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9239 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 -2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 -2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2814 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2814 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6362 1.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6362 1.5574 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 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 |
| − | 18 39 1 0 0 0 0 | + | 18 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 -0.5089 -0.5089 | + | M SBV 1 44 -0.5089 -0.5089 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0018 | + | ID FL3FAACS0018 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O | + | SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(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
-1.5017 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5017 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3561 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3561 -0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 -0.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0025 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9936 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3986 0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7903 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0201 2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3771 2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 0.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 -2.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9027 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6555 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6555 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9027 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4079 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8217 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3449 -2.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6585 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9962 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4775 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0781 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4079 -1.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9239 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 -2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2814 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6362 1.5574 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
26 29 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
18 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 -0.5089 -0.5089
S SKP 5
ID FL3FAACS0018
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O
M END
