Mol:FL5FAAGS0045
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 |
| − | -3.1851 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1851 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1851 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1851 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4706 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4706 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7562 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7562 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7562 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7562 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3273 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3273 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0417 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0417 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0417 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0417 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3869 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1150 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1150 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8432 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8432 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8432 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8432 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1150 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1150 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3869 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3869 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4706 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4706 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8626 3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8626 3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8208 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8208 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5615 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5615 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1296 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1296 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9479 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9479 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8208 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8208 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1444 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1444 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4479 0.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4479 0.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5907 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5907 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2452 -0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2452 -0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3618 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3618 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8208 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8208 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2779 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2779 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4629 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4629 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0220 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0220 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6201 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6201 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2182 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2182 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2182 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2182 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6201 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6201 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8160 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8160 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8160 -2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8160 -2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6201 -3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6201 -3.2163 0.0000 O 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 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 |
| − | 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 |
| − | 27 8 1 0 0 0 0 | + | 27 8 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 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 32 1 0 0 0 0 | + | 38 32 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0045 | + | ID FL5FAAGS0045 |
| − | FORMULA C27H22O14 | + | FORMULA C27H22O14 |
| − | EXACTMASS 570.100955412 | + | EXACTMASS 570.100955412 |
| − | AVERAGEMASS 570.45518 | + | AVERAGEMASS 570.45518 |
| − | SMILES O(C(C(O)2)C(OC(C(=O)3)=C(c(c5)ccc(c5)O)Oc(c4)c3c(O)cc(O)4)OCC2O)C(c(c1)cc(O)c(O)c(O)1)=O | + | SMILES O(C(C(O)2)C(OC(C(=O)3)=C(c(c5)ccc(c5)O)Oc(c4)c3c(O)cc(O)4)OCC2O)C(c(c1)cc(O)c(O)c(O)1)=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/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.1851 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1851 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8208 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4479 0.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2452 -0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3618 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2779 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4629 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2182 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2182 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8160 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8160 -2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -3.2163 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
27 8 1 0 0 0 0
24 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
32 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 32 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
S SKP 5
ID FL5FAAGS0045
FORMULA C27H22O14
EXACTMASS 570.100955412
AVERAGEMASS 570.45518
SMILES O(C(C(O)2)C(OC(C(=O)3)=C(c(c5)ccc(c5)O)Oc(c4)c3c(O)cc(O)4)OCC2O)C(c(c1)cc(O)c(O)c(O)1)=O
M END
