Mol:FL3FEAGS0049
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 |
| − | 0.1680 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1680 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1680 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1680 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8824 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8824 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5969 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5969 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5969 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5969 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8824 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8824 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3114 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3114 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0258 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0258 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0258 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0258 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3114 0.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3114 0.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7402 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7402 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4547 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4547 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1691 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1691 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1691 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1691 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4547 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4547 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7402 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7402 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3114 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3114 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8824 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8824 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9154 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9154 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5516 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5516 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5189 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5189 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2292 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2292 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8204 0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8204 0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4078 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4078 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6095 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6095 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8160 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8160 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2285 0.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2285 0.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0269 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0269 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1163 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1163 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0773 0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0773 0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4634 0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4634 0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3136 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3136 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9010 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9010 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1027 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1027 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3092 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3092 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7217 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7217 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5201 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5201 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5683 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5683 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5911 -0.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5911 -0.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9154 -0.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9154 -0.2898 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 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | 35 29 1 0 0 0 0 | + | 35 29 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FEAGS0049 | + | ID FL3FEAGS0049 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c1)(ccc(C(=C5)Oc(c2)c(C5=O)c(c(c2OC(C(OC(C(O)4)OCC(O)C4O)3)OCC(O)C(O)3)OC)O)c1)O | + | SMILES c(c1)(ccc(C(=C5)Oc(c2)c(C5=O)c(c(c2OC(C(OC(C(O)4)OCC(O)C4O)3)OCC(O)C(O)3)OC)O)c1)O |
M END | M END | ||
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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
0.1680 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0258 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0258 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 0.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4547 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1691 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1691 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4547 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9154 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5516 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2292 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8204 0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4078 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8160 0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2285 0.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0269 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1163 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0773 0.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4634 0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3136 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9010 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1027 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3092 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7217 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5201 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5911 -0.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9154 -0.2898 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
21 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
35 29 1 0 0 0 0
26 20 1 0 0 0 0
S SKP 5
ID FL3FEAGS0049
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(=C5)Oc(c2)c(C5=O)c(c(c2OC(C(OC(C(O)4)OCC(O)C4O)3)OCC(O)C(O)3)OC)O)c1)O
M END
