Mol:FL5FAAGS0026
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 |
| − | -0.9490 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9490 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9490 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9490 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2345 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2345 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4800 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4800 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4800 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4800 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2345 1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2345 1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1945 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1945 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9090 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9090 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9090 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9090 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1945 1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1945 1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1945 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1945 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6233 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6233 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3516 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3516 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0798 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0798 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0798 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0798 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3516 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3516 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6233 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6233 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2345 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2345 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6632 1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6632 1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8079 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8079 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6649 -0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6649 -0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7083 1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7083 1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2844 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2844 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2035 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2035 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4675 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4675 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0023 1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0023 1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6699 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6699 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5668 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5668 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8079 0.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8079 0.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4683 0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4683 0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5399 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5399 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2275 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2275 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0093 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0093 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2275 -0.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2275 -0.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5399 -0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5399 -0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7579 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7579 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6012 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6012 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6353 -2.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6353 -2.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1454 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1454 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5245 -1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5245 -1.7230 0.0000 C 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 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 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 35 21 1 0 0 0 0 | + | 35 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0026 | + | ID FL5FAAGS0026 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c43)C(=O)C(=C(O3)c(c2)ccc(c2)O)OC(C(O)1)OC(C)C(C1O)O | + | SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c43)C(=O)C(=C(O3)c(c2)ccc(c2)O)OC(C(O)1)OC(C)C(C1O)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
-0.9490 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4800 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4800 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1945 -0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9090 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9090 1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1945 1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1945 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6233 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3516 1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0798 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0798 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3516 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6233 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 1.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8079 2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6649 -0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7083 1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2844 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2035 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4675 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0023 1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6699 1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5668 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8079 0.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4683 0.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2275 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0093 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2275 -0.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 -0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7579 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6012 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6353 -2.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1454 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5245 -1.7230 0.0000 C 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
9 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 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 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 21 1 0 0 0 0
S SKP 5
ID FL5FAAGS0026
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c43)C(=O)C(=C(O3)c(c2)ccc(c2)O)OC(C(O)1)OC(C)C(C1O)O
M END
