Mol:LBF18108HP03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 1 0 0 0 0 0999 V2000 | + | 27 28 0 0 1 0 0 0 0 0999 V2000 |
| − | -0.6537 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6537 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2469 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2469 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6580 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6580 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4802 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4802 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8912 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8912 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4802 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4802 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6580 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6580 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8972 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8972 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7235 2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7235 2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9930 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9930 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3331 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3331 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8180 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8180 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8630 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8630 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4680 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4680 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6612 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0737 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0737 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6612 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0737 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0737 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6612 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0737 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0737 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6612 -2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 -2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8193 2.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8193 2.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1048 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1048 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0555 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0555 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4680 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4680 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4680 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4680 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0555 2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0555 2.8578 0.0000 C 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 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 2 7 1 4 0 0 0 | + | 2 7 1 4 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 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 11 1 4 0 0 0 | + | 10 11 1 4 0 0 0 |
| − | 1 11 1 4 0 0 0 | + | 1 11 1 4 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 5 15 1 4 0 0 0 | + | 5 15 1 4 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 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 20 1 4 0 0 0 | + | 21 20 1 4 0 0 0 |
| − | 12 22 1 4 0 0 0 | + | 12 22 1 4 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HP03 | + | ID LBF18108HP03 |
| − | FORMULA C19H32O8 | + | FORMULA C19H32O8 |
| − | EXACTMASS 388.20971799999995 | + | EXACTMASS 388.20971799999995 |
| − | AVERAGEMASS 388.45258 | + | AVERAGEMASS 388.45258 |
| − | SMILES C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1 | + | SMILES C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)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/
27 28 0 0 1 0 0 0 0 0999 V2000
-0.6537 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2469 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4802 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8912 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4802 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6580 2.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8972 2.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 2.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9930 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8180 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4680 1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6612 -2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8193 2.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1048 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0555 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4680 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4680 2.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0555 2.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 7 1 0 0 0 0
2 7 1 4 0 0 0
8 1 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 4 0 0 0
1 11 1 4 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
5 15 1 4 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
21 20 1 4 0 0 0
12 22 1 4 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 5
ID LBF18108HP03
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1
M END
