Mol:LBF20111SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 0 0 0 0 0 0999 V2000 | + | 22 21 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.7589 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7589 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3721 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3721 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0871 -0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0871 -0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3721 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3721 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1539 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1539 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5214 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5214 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8696 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8696 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2069 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2069 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5702 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5702 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9364 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9364 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3589 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3589 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4111 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4111 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9061 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9061 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4561 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4561 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9786 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9786 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6111 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6111 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1735 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1735 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7689 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7689 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3326 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3326 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9266 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9266 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4917 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4917 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0871 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0871 -0.1093 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 |
| − | 2 4 2 0 0 0 0 | + | 2 4 2 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 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 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 0 0 0 0 | + | 10 11 1 0 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 1 0 0 0 0 | + | 13 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 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 |
| − | 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20111SC01 | + | ID LBF20111SC01 |
| − | FORMULA C20H38O2 | + | FORMULA C20H38O2 |
| − | EXACTMASS 310.28718046 | + | EXACTMASS 310.28718046 |
| − | AVERAGEMASS 310.51452 | + | AVERAGEMASS 310.51452 |
| − | SMILES C(CCCCCCC=CCCCCCCCC(O)=O)CCC | + | SMILES C(CCCCCCC=CCCCCCCCC(O)=O)CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
4.7589 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3721 -0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0871 -0.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3721 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1539 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5214 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8696 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2069 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9364 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4561 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9786 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6111 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1735 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7689 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3326 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9266 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4917 -0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0871 -0.1093 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
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20111SC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CCCCCCC=CCCCCCCCC(O)=O)CCC
M END
