Mol:FL3FAACS0046
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5294 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5294 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5294 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5294 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8150 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8150 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1005 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1005 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1005 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1005 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8150 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8150 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6139 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6139 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3283 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3283 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3283 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3283 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6139 0.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6139 0.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6139 -2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6139 -2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2436 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2436 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4689 1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4689 1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7396 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7396 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9710 1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9710 1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7396 2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7396 2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4689 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4689 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2376 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2376 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6539 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6539 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9630 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9630 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6899 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6899 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4167 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4167 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4167 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4167 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6899 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6899 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9630 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9630 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1431 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1431 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8150 -2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8150 -2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2740 0.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2740 0.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6800 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6800 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1431 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1431 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3767 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3767 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7410 -1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7410 -1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3420 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3420 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0443 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0443 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5715 -2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5715 -2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9345 -2.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9345 -2.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8286 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8286 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0420 2.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0420 2.8804 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 14 13 1 1 0 0 0 | + | 14 13 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 13 1 1 0 0 0 | + | 18 13 1 1 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 17 38 1 0 0 0 0 | + | 17 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0046 | + | ID FL3FAACS0046 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-1.5294 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1005 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1005 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 -1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 0.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 -2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2436 0.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9710 1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 2.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6539 2.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9630 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6899 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6899 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9630 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1431 -2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3767 -1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 -1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0443 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5715 -2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9345 -2.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8286 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0420 2.8804 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
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
18 19 1 0 0 0 0
6 14 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
9 20 1 0 0 0 0
23 26 1 0 0 0 0
3 27 1 0 0 0 0
13 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
31 35 1 0 0 0 0
30 36 1 0 0 0 0
32 37 1 0 0 0 0
33 2 1 0 0 0 0
17 38 1 0 0 0 0
S SKP 5
ID FL3FAACS0046
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O
M END
