Mol:FL3FEAGS0045
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0568 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0568 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0568 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0568 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6577 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6577 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3721 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3721 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6577 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6577 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5155 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5155 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9443 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9443 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9443 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9443 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2299 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2299 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5155 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5155 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6577 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6577 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6906 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6906 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7764 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7764 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7437 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7437 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6616 1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6616 1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2490 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2490 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4506 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4506 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6572 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6572 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0697 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0697 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8681 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8681 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9369 -0.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9369 -0.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8979 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8979 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2428 0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2428 0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0476 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0476 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6350 -0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6350 -0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8366 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8366 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0431 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0431 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4557 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4557 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2541 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2541 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4260 -1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4260 -1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3458 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3458 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6906 -0.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6906 -0.2939 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 34 28 1 0 0 0 0 | + | 34 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0045 | + | ID FL3FEAGS0045 |
| − | FORMULA C25H26O14 | + | FORMULA C25H26O14 |
| − | EXACTMASS 550.13225554 | + | EXACTMASS 550.13225554 |
| − | AVERAGEMASS 550.4655399999999 | + | AVERAGEMASS 550.4655399999999 |
| − | SMILES O(C(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(c(O)3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1 | + | SMILES O(C(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(c(O)3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-0.0568 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0568 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6577 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3721 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6577 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5155 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9443 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9443 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2299 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5155 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6577 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6906 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7764 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7437 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6616 1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2490 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6572 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0697 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8681 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9369 -0.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8979 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2428 0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0476 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6350 -0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8366 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0431 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4557 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2541 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4260 -1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3458 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6906 -0.2939 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
2 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
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
31 39 1 0 0 0 0
25 20 1 0 0 0 0
34 28 1 0 0 0 0
S SKP 5
ID FL3FEAGS0045
FORMULA C25H26O14
EXACTMASS 550.13225554
AVERAGEMASS 550.4655399999999
SMILES O(C(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(c(O)3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1
M END
