Mol:FL631CGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9916 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9916 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4206 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4206 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2772 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2772 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4373 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4373 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4373 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4373 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2772 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2772 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1518 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1518 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4966 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4966 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 1.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 1.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1518 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1518 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1351 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1351 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8242 2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8242 2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2289 -1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2289 -1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1351 1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1351 1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9979 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9979 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5280 -2.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5280 -2.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2778 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2778 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0983 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0983 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5682 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5682 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8184 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8184 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9018 -2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9018 -2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8919 -2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8919 -2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4721 -1.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4721 -1.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1851 -1.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1851 -1.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 26 30 1 1 0 0 0 | + | 26 30 1 1 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL631CGS0001 | + | ID FL631CGS0001 |
| − | FORMULA C20H21HO9 | + | FORMULA C20H21HO9 |
| − | EXACTMASS 406.126382302 | + | EXACTMASS 406.126382302 |
| − | AVERAGEMASS 406.38328 | + | AVERAGEMASS 406.38328 |
| − | SMILES c(O)(c4)ccc(c41)CC(OC(C(O)3)(OCC(O)C3O)[H])C(c(c2)cc(c(O)c2)O)O1 | + | SMILES c(O)(c4)ccc(c41)CC(OC(C(O)3)(OCC(O)C3O)[H])C(c(c2)cc(c(O)c2)O)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.9916 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4206 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4373 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1518 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 1.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1518 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1351 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8242 2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 -1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1351 1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9979 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5280 -2.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2778 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5682 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9018 -2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8919 -2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4721 -1.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1851 -1.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 11 1 6 0 0 0
11 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 11 1 0 0 0 0
4 17 1 0 0 0 0
18 15 1 0 0 0 0
8 19 1 1 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
19 26 1 0 0 0 0
26 30 1 1 0 0 0
S SKP 5
ID FL631CGS0001
FORMULA C20H21HO9
EXACTMASS 406.126382302
AVERAGEMASS 406.38328
SMILES c(O)(c4)ccc(c41)CC(OC(C(O)3)(OCC(O)C3O)[H])C(c(c2)cc(c(O)c2)O)O1
M END
