Mol:FL5FACGS0022
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 |
| − | -2.9029 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9029 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9029 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9029 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2017 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2017 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5005 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5005 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5005 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5005 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2017 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2017 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7993 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7993 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0981 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0981 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0981 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0981 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7993 1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7993 1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7993 -1.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7993 -1.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6029 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6029 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3176 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0321 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0321 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0321 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0321 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3176 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6029 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6029 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6038 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6038 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7466 2.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7466 2.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7013 -0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7013 -0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2483 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2483 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4020 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4020 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6707 -1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6707 -1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4020 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4020 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2483 -3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2483 -3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9800 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9800 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1496 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1496 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5070 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5070 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9797 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9797 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4984 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4984 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4127 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4127 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7555 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7555 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5309 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5309 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6166 -0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6166 -0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2737 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2737 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1174 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1174 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0541 -2.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0541 -2.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6038 -2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6038 -2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5489 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5489 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3176 3.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 3.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2017 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2017 -1.0243 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 |
| − | 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 34 27 1 0 0 0 0 | + | 34 27 1 0 0 0 0 |
| − | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
| − | 3 41 1 0 0 0 0 | + | 3 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0022 | + | ID FL5FACGS0022 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)OC(C(OC(C(O)2)OC(C)C(O)C2O)1)OCC(C1O)O | + | SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)OC(C(OC(C(O)2)OC(C)C(O)C2O)1)OCC(C1O)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
-2.9029 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9029 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2017 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2017 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7993 -0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0981 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0981 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7993 1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7993 -1.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6029 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6029 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6038 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7466 2.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 -0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2483 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4020 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6707 -1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4020 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2483 -3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9800 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1496 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9797 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4127 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7555 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5309 -0.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6166 -0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2737 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0541 -2.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6038 -2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5489 -1.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 3.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2017 -1.0243 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
15 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
35 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
34 27 1 0 0 0 0
16 40 1 0 0 0 0
3 41 1 0 0 0 0
S SKP 5
ID FL5FACGS0022
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)OC(C(OC(C(O)2)OC(C)C(O)C2O)1)OCC(C1O)O
M END
