Mol:FL1AAAGS0002
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 |
| − | -2.2444 1.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2444 1.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5298 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5298 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5298 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5298 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2444 3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2444 3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9589 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9589 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.5930 1.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5930 1.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5560 3.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5560 3.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4322 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4322 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8328 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8328 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6339 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6339 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0346 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0346 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6339 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6339 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8328 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8328 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5994 2.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5994 2.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2444 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2444 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1687 0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1687 0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9984 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9984 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2474 0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2474 0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8135 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8135 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0161 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0161 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7348 -0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7348 -0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6973 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6973 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1560 -0.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1560 -0.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1415 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1415 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5027 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5027 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8652 -1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 -1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4552 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4552 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8847 -3.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8847 -3.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0587 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0587 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2277 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2277 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7981 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7981 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6241 -2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6241 -2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0794 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0794 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2880 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2880 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6819 -3.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6819 -3.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2237 -3.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2237 -3.6077 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 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 24 23 1 1 0 0 0 | + | 24 23 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 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 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AAAGS0002 | + | ID FL1AAAGS0002 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c4=O)c(oc4=Cc(c5)ccc(O)c5)cc(O)3)2)O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c4=O)c(oc4=Cc(c5)ccc(O)c5)cc(O)3)2)O)C(C(O)C(O)1)O |
M END | M END | ||
| − | |||
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
-2.2444 1.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2444 3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9589 3.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9589 2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2603 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5994 3.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5930 1.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5560 3.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4322 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 2.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0346 2.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5994 2.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2444 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1687 0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9984 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2474 0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8135 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0161 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7348 -0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6973 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -0.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5027 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 -1.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8847 -3.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0587 -2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2277 -2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7981 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6241 -2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0794 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2880 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6819 -3.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2237 -3.6077 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 3 1 0 0 0 0
5 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 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
24 30 1 0 0 0 0
30 31 1 0 0 0 0
20 22 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
31 36 1 0 0 0 0
S SKP 5
ID FL1AAAGS0002
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c3)c(c4=O)c(oc4=Cc(c5)ccc(O)c5)cc(O)3)2)O)C(C(O)C(O)1)O
M END
