Mol:FL3FACCS0048
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3661 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3661 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5610 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5610 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1585 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1585 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5610 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5610 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3660 1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3660 1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7685 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7685 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5441 0.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5441 0.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4490 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4490 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0934 0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0934 0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0365 1.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0365 1.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2716 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2716 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6294 2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6294 2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2507 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2507 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3857 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3857 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5154 -0.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5154 -0.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1367 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1367 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7785 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7785 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4622 0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4622 0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0539 2.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0539 2.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4051 2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4051 2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3715 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3715 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0859 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0859 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0859 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0859 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3715 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3715 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3431 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3431 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3431 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3431 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6114 -0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6114 -0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3715 -2.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3715 -2.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0577 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0577 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7721 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7721 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7721 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7721 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0577 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0577 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0577 -2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0577 -2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5250 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5250 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2484 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2484 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9718 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9718 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9718 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9718 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2484 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2484 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5250 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5250 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2484 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2484 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5441 0.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5441 0.6016 0.0000 O 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 10 13 1 0 0 0 0 | + | 10 13 1 0 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 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 26 1 0 0 0 0 | + | 32 26 1 0 0 0 0 |
| − | 29 33 2 0 0 0 0 | + | 29 33 2 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0048 | + | ID FL3FACCS0048 |
| − | FORMULA C28H24O13 | + | FORMULA C28H24O13 |
| − | EXACTMASS 568.121690854 | + | EXACTMASS 568.121690854 |
| − | AVERAGEMASS 568.48236 | + | AVERAGEMASS 568.48236 |
| − | SMILES c(c1)(C(O5)=CC(=O)c(c25)c(O)cc(c(C(C(OC(c(c4)ccc(c4)O)=O)3)OC(CO)C(O)C3O)2)O)cc(O)c(c1)O | + | SMILES c(c1)(C(O5)=CC(=O)c(c25)c(O)cc(c(C(C(OC(c(c4)ccc(c4)O)=O)3)OC(CO)C(O)C3O)2)O)cc(O)c(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.3661 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1585 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3660 1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7685 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5441 0.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0934 0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 1.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2716 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6294 2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2507 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3857 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5154 -0.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1367 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4622 0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0539 2.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4051 2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0859 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0859 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6114 -0.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 -2.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 -2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9718 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9718 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5441 0.6016 0.0000 O 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
6 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 1 0 0 0
14 13 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 11 1 0 0 0 0
10 13 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 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 21 1 0 0 0 0
22 27 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 26 1 0 0 0 0
29 33 2 0 0 0 0
31 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
S SKP 5
ID FL3FACCS0048
FORMULA C28H24O13
EXACTMASS 568.121690854
AVERAGEMASS 568.48236
SMILES c(c1)(C(O5)=CC(=O)c(c25)c(O)cc(c(C(C(OC(c(c4)ccc(c4)O)=O)3)OC(CO)C(O)C3O)2)O)cc(O)c(c1)O
M END
