Mol:FL6FACGS0003
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 |
| − | -1.6291 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6291 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6291 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6291 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9146 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9146 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2001 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2001 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2001 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2001 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9146 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9146 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5144 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5144 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2289 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2289 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2289 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2289 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5144 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5144 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9435 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9435 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6639 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6639 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3843 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3843 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3843 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3843 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6639 3.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6639 3.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9435 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9435 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1038 3.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1038 3.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3435 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3435 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6639 4.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6639 4.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5407 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5407 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0287 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0287 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2914 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2914 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5801 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5801 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0971 -0.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0971 -0.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7421 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7421 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1038 -0.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1038 -0.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6399 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6399 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5184 -1.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5184 -1.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9178 -0.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9178 -0.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5184 -2.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5184 -2.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0601 -2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0601 -2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8093 -2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8093 -2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6417 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6417 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6417 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6417 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3461 -4.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3461 -4.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0505 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0505 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0505 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0505 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3461 -2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3461 -2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7535 -4.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7535 -4.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7535 -2.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7535 -2.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1014 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1014 -2.2671 0.0000 C 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 1 0 0 0 0 | + | 8 9 1 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 |
| − | 29 3 1 0 0 0 0 | + | 29 3 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 2 0 0 0 0 | + | 32 41 2 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL6FACGS0003 | + | ID FL6FACGS0003 |
| − | FORMULA C29H28O12 | + | FORMULA C29H28O12 |
| − | EXACTMASS 568.15807636 | + | EXACTMASS 568.15807636 |
| − | AVERAGEMASS 568.5254199999999 | + | AVERAGEMASS 568.5254199999999 |
| − | SMILES Oc(c(O)1)ccc(C=CC(OC(C2O)C(Oc(c35)cc(O)cc3OC(CC5)c(c4)cc(c(O)c4)O)OCC2O)=O)c1 | + | SMILES Oc(c(O)1)ccc(C=CC(OC(C2O)C(Oc(c35)cc(O)cc3OC(CC5)c(c4)cc(c(O)c4)O)OCC2O)=O)c1 |
M END | M END | ||
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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
-1.6291 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6291 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9146 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2001 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2001 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9146 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5144 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5144 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3843 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3843 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 3.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1038 3.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3435 1.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 4.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5407 -0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 -1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0971 -0.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7421 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1038 -0.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6399 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 -1.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9178 -0.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5184 -2.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0601 -2.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8093 -2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6417 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6417 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3461 -4.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0505 -3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0505 -2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3461 -2.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 -4.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 -2.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1014 -2.2671 0.0000 C 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
29 3 1 0 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 2 0 0 0 0
33 41 1 0 0 0 0
S SKP 5
ID FL6FACGS0003
FORMULA C29H28O12
EXACTMASS 568.15807636
AVERAGEMASS 568.5254199999999
SMILES Oc(c(O)1)ccc(C=CC(OC(C2O)C(Oc(c35)cc(O)cc3OC(CC5)c(c4)cc(c(O)c4)O)OCC2O)=O)c1
M END
