Mol:LBF18104HP01
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 |
| − | -4.6743 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6743 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6993 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6993 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7454 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7454 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3483 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3483 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5539 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5539 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1567 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1567 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5539 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5539 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3483 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3483 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3318 2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3318 2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3111 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3111 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9542 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9542 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7085 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7085 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0860 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0860 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7512 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7512 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7512 3.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7512 3.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0546 4.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0546 4.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5482 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5482 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3007 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3007 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5482 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5482 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3007 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3007 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5482 -2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5482 -2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3007 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3007 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5482 -5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5482 -5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9217 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9217 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6743 1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6743 1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6743 3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6743 3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9217 5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9217 5.2137 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 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 7 1 4 0 0 0 | + | 6 7 1 4 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 3 8 1 4 0 0 0 | + | 3 8 1 4 0 0 0 |
| − | 6 9 1 0 0 0 0 | + | 6 9 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 4 0 0 0 | + | 11 12 1 4 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 9 13 1 4 0 0 0 | + | 9 13 1 4 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 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 |
| − | 14 17 1 4 0 0 0 | + | 14 17 1 4 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 22 1 4 0 0 0 | + | 23 22 1 4 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 |
| − | 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 LBF18104HP01 | + | ID LBF18104HP01 |
| − | FORMULA C19H32O8 | + | FORMULA C19H32O8 |
| − | EXACTMASS 388.20971799999995 | + | EXACTMASS 388.20971799999995 |
| − | AVERAGEMASS 388.45258 | + | AVERAGEMASS 388.45258 |
| − | SMILES C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1 | + | SMILES C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1 |
M END | M END | ||
| − | |||
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
-4.6743 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6993 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7454 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1567 2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 3.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3111 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9542 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7085 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 3.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7512 3.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0546 4.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3007 -3.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9217 5.2137 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 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 4 0 0 0
7 8 1 0 0 0 0
3 8 1 4 0 0 0
6 9 1 0 0 0 0
10 9 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 4 0 0 0
12 13 1 0 0 0 0
9 13 1 4 0 0 0
11 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
23 22 1 4 0 0 0
23 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 LBF18104HP01
FORMULA C19H32O8
EXACTMASS 388.20971799999995
AVERAGEMASS 388.45258
SMILES C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1
M END
