Mol:FL5FFAGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6988 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6988 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6988 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6988 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9843 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9843 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2698 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2698 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2698 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2698 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9843 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9843 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4447 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4447 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1593 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1593 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4447 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4447 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4447 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4447 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6018 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6018 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3300 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3300 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3300 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3300 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6018 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6018 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9843 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9843 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3495 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3495 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3345 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3345 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9476 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9476 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9843 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9843 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4142 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4142 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7208 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7208 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1463 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1463 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8090 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8090 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6327 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6327 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2074 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2074 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9686 2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9686 2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1237 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1237 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2108 0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2108 0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9553 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9553 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2955 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2955 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3495 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3495 1.6202 0.0000 C 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFAGS0021 | + | ID FL5FFAGS0021 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O | + | SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.6988 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6988 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9843 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2698 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2698 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9843 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4447 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1593 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4447 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4447 -2.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6018 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3300 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3300 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6018 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9843 -2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3495 0.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 -0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9476 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9843 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4142 2.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7208 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1463 1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6327 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9686 2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2108 0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9553 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2955 2.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3495 1.6202 0.0000 C 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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
6 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
22 26 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 5
ID FL5FFAGS0021
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O
M END
