Mol:FL5FACGS0066
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1875 -0.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1875 -0.7680 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 27 23 1 1 0 0 0 | + | 27 23 1 1 0 0 0 |
| − | 26 28 1 1 0 0 0 | + | 26 28 1 1 0 0 0 |
| − | 28 24 1 0 0 0 0 | + | 28 24 1 0 0 0 0 |
| − | 29 26 1 0 0 0 0 | + | 29 26 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 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 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 19 1 0 0 0 0 | + | 35 19 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0066 | + | ID FL5FACGS0066 |
| − | FORMULA C26H28O16 | + | FORMULA C26H28O16 |
| − | EXACTMASS 596.137734848 | + | EXACTMASS 596.137734848 |
| − | AVERAGEMASS 596.49092 | + | AVERAGEMASS 596.49092 |
| − | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O | + | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)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/
42 46 0 0 0 0 0 0 0 0999 V2000
1.1147 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5435 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5435 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7431 2.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7431 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7431 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1354 3.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1721 2.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3755 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8084 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3755 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8084 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7408 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -3.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8884 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0929 -1.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3289 -0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0534 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2579 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3330 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7043 -1.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1875 -0.7680 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
28 23 1 1 0 0 0
27 23 1 1 0 0 0
26 28 1 1 0 0 0
28 24 1 0 0 0 0
29 26 1 0 0 0 0
27 29 1 0 0 0 0
23 25 1 0 0 0 0
27 30 1 0 0 0 0
30 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
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 19 1 0 0 0 0
26 42 1 0 0 0 0
S SKP 5
ID FL5FACGS0066
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(C1OC(C(O)2)OC(CO)C(O)2)OC(CO)C(C(O)1)O)=O)O
M END
