Mol:FL5FACGS0065
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 |
| − | 1.1147 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8291 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5436 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5436 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5436 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8291 3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8291 3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0288 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0288 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4002 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4002 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4577 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4577 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4577 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3143 -0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3143 -0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1722 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1722 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1147 0.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1147 0.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7432 -0.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7432 -0.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1355 3.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1355 3.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1722 1.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1722 1.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5556 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5556 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9708 -2.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9708 -2.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7821 -2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7821 -2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1421 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1421 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3670 -2.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3670 -2.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7787 -3.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7787 -3.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5414 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5414 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2925 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2925 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0430 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0430 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4521 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4521 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8466 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8466 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0699 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0699 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5321 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5321 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1282 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1282 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5732 -0.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5732 -0.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1757 -1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1757 -1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2101 -2.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2101 -2.1305 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 38 33 1 1 0 0 0 | + | 38 33 1 1 0 0 0 |
| − | 37 33 1 1 0 0 0 | + | 37 33 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 19 36 1 0 0 0 0 | + | 19 36 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0065 | + | ID FL5FACGS0065 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c5O)c(c(c(c5)1)C(=O)C(OC(C(OC(C4O)OC(C)C(C4O)O)3)OC(C3O)CO)=C(c(c2)ccc(O)c2O)O1)O | + | SMILES c(c5O)c(c(c(c5)1)C(=O)C(OC(C(OC(C4O)OC(C)C(C4O)O)3)OC(C3O)CO)=C(c(c2)ccc(O)c2O)O1)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
1.1147 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 -0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 0.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 -0.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1355 3.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 1.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 -2.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7821 -2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1421 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3670 -2.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7787 -3.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5414 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0430 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4521 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8466 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0699 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5321 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -0.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1757 -1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2101 -2.1305 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
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
38 33 1 1 0 0 0
37 33 1 1 0 0 0
36 38 1 1 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
37 39 1 0 0 0 0
33 35 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
19 36 1 0 0 0 0
27 34 1 0 0 0 0
S SKP 5
ID FL5FACGS0065
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c5O)c(c(c(c5)1)C(=O)C(OC(C(OC(C4O)OC(C)C(C4O)O)3)OC(C3O)CO)=C(c(c2)ccc(O)c2O)O1)O
M END
