Mol:FL5FAAGS0025
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 |
| − | -2.0980 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0980 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0980 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0980 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3836 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3836 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6691 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6691 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6691 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6691 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3836 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3836 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0454 0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0454 0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0454 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0454 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2022 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2022 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9304 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9304 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9304 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9304 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2022 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2022 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3836 -2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3836 -2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8122 0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8122 0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6584 1.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6584 1.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6188 -1.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6188 -1.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6572 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6572 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2590 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2590 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0248 -1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0248 -1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7954 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7954 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1938 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1938 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4278 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4278 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0381 -1.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0381 -1.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9921 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9921 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8846 -1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8846 -1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2956 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2956 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6210 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6210 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8351 0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8351 0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6210 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6210 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2956 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2956 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0815 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0815 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9464 2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9464 2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6210 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6210 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6664 1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6664 1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8846 0.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8846 0.2376 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 |
| − | 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 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 |
| − | 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 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 32 19 1 0 0 0 0 | + | 32 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0025 | + | ID FL5FAAGS0025 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES O(C(=C(c(c5)ccc(c5)O)4)C(=O)c(c(O4)3)c(O)cc(c3)OC(C(O)2)OC(C)C(O)C2O)C(C1O)OCC(C1O)O | + | SMILES O(C(=C(c(c5)ccc(c5)O)4)C(=O)c(c(O4)3)c(O)cc(c3)OC(C(O)2)OC(C)C(O)C2O)C(C1O)OCC(C1O)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
-2.0980 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0980 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3836 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3836 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0454 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0454 0.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0454 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2022 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9304 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9304 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2022 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3836 -2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8122 0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 1.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6188 -1.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6572 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2590 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0248 -1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7954 -1.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1938 -1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4278 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 -1.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9921 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8846 -1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2956 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6210 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8351 0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6210 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2956 1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0815 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9464 2.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6210 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6664 1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8846 0.2376 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
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
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
8 21 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
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0025
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES O(C(=C(c(c5)ccc(c5)O)4)C(=O)c(c(O4)3)c(O)cc(c3)OC(C(O)2)OC(C)C(O)C2O)C(C1O)OCC(C1O)O
M END
