Mol:FL3FAAGS0019
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 |
| − | -0.2523 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2523 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2523 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2523 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4487 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4487 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1497 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1497 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1497 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1497 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4487 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4487 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8508 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8508 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5518 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5518 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5518 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5518 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8508 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8508 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8508 -2.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8508 -2.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2526 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2526 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9671 -1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9671 -1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6816 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6816 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6816 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6816 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9671 0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9671 0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2526 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2526 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9531 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9531 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4487 -3.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4487 -3.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3958 0.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3958 0.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.6727 -1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6727 -1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7700 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7700 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4260 -0.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4260 -0.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6826 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6826 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.4290 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4290 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0398 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0398 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.9672 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9672 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9672 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9672 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.7838 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7838 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.3958 2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3958 2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 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 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0019 | + | ID FL3FAAGS0019 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O | + | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O |
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
-0.2523 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2523 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4487 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1497 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1497 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4487 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5518 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5518 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -2.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2526 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9671 -1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6816 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6816 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9671 0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2526 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9531 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4487 -3.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3958 0.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2581 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 -1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7700 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4260 -0.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2446 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9110 -0.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4290 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0398 -1.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4664 -0.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7838 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3958 2.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9672 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9672 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3551 1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7838 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0629 3.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3958 2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3266 0.7006 0.0000 O 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
31 27 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
35 31 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 5
ID FL3FAAGS0019
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O
M END
