Mol:FL3FAACS0053
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 |
| − | -0.4422 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4422 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4422 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4422 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9866 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9866 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9866 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9866 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7010 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7010 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4155 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4155 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4155 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4155 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7010 0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7010 0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7010 -1.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7010 -1.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2885 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2885 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0414 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0414 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7943 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7943 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7943 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7943 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0414 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0414 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2885 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2885 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5466 2.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5466 2.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4327 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4327 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7705 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7705 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1082 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1082 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8434 -0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8434 -0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5586 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5586 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2814 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2814 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4580 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4580 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1564 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1564 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5809 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5809 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8400 -1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8400 -1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1778 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1778 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5155 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5155 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6150 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6150 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2507 -1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2507 -1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9659 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9659 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5466 -1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5466 -1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9660 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9660 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9147 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9147 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4983 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4983 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5217 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5217 -0.9103 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 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 29 1 0 0 0 0 | + | 33 29 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 0.5324 -0.5323 | + | M SBV 1 44 0.5324 -0.5323 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0053 | + | ID FL3FAACS0053 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c5)(ccc(c5)C(=C1)Oc(c2)c(c(O)c(C(C3OC(C(O)4)OC(C(C(O)4)O)CO)OCC(C3O)O)c2O)C1=O)O | + | SMILES c(c5)(ccc(c5)C(=C1)Oc(c2)c(c(O)c(C(C3OC(C(O)4)OC(C(C(O)4)O)CO)OCC(C3O)O)c2O)C1=O)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
-0.4422 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4422 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9866 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9866 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4155 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4155 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 -1.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2885 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0414 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7943 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7943 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0414 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2885 1.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5466 2.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4327 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8434 -0.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5586 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2814 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4580 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1564 0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5809 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8400 -1.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1778 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5155 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6150 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2507 -1.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9659 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5466 -1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9660 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9147 -2.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4983 -1.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5217 -0.9103 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 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 29 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 0.5324 -0.5323
S SKP 5
ID FL3FAACS0053
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c5)(ccc(c5)C(=C1)Oc(c2)c(c(O)c(C(C3OC(C(O)4)OC(C(C(O)4)O)CO)OCC(C3O)O)c2O)C1=O)O
M END
