Mol:FL3FECGS0043
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 |
| − | 3.2496 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2496 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2496 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2496 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9641 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9641 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6786 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6786 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6786 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6786 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9641 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9641 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8207 0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8207 0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1062 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1062 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1062 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1062 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8207 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8207 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3918 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3918 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3227 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3227 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3227 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3227 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3918 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3918 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8207 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8207 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9134 0.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9134 0.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3918 -2.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3918 -2.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3842 1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3842 1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3430 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3430 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9758 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9758 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8210 2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8210 2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8209 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8209 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0252 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0252 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4517 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4517 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4516 1.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4516 1.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2472 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2472 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8794 0.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8794 0.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3382 1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3382 1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3842 2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3842 2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9670 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9670 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9669 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9669 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1712 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1712 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5977 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5977 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5976 1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5976 1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3932 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3932 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0840 0.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0840 0.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3824 1.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3824 1.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5921 2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5921 2.1405 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 26 38 1 0 0 0 0 | + | 26 38 1 0 0 0 0 |
| − | 35 18 1 0 0 0 0 | + | 35 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0043 | + | ID FL3FECGS0043 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c2cc(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(O)3)c1)O | + | SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c2cc(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(O)3)c1)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
3.2496 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2496 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6786 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6786 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1062 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1062 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3918 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3918 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8207 -2.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3918 -2.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3842 1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3430 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9758 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8210 2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8209 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0252 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4516 1.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2472 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8794 0.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3382 1.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3842 2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9670 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9669 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1712 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5977 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5976 1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3932 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0840 0.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3824 1.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5921 2.1405 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
26 38 1 0 0 0 0
35 18 1 0 0 0 0
S SKP 5
ID FL3FECGS0043
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES c(c1)(O)c(cc(C(O2)=CC(=O)c(c(O)3)c2cc(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(O)3)c1)O
M END
