Mol:LBF22000SC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 23 0 0 0 0 0 0 0 0999 V2000 | + | 24 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9497 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9497 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6647 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6647 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9497 1.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9497 1.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3364 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3364 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6489 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6489 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9876 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9876 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3193 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3193 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6593 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6593 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0117 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0117 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6744 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6744 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3427 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3427 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0027 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0027 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6737 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6737 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3364 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3364 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0047 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0047 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6647 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6647 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6647 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6647 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9511 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9511 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3364 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3364 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6476 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6476 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9903 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9903 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3014 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3014 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6442 -0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6442 -0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0447 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0447 -1.3702 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 |
| − | 1 3 2 0 0 0 0 | + | 1 3 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 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 |
| − | 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF22000SC01 | + | ID LBF22000SC01 |
| − | FORMULA C22H44O2 | + | FORMULA C22H44O2 |
| − | EXACTMASS 340.334130652 | + | EXACTMASS 340.334130652 |
| − | AVERAGEMASS 340.58356000000003 | + | AVERAGEMASS 340.58356000000003 |
| − | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCCCC | + | SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.9497 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6647 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9497 1.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3364 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6489 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6593 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6744 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0027 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0047 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9511 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6476 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9903 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6442 -0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0447 -1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 1 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
7 8 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 1 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
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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22000SC01
FORMULA C22H44O2
EXACTMASS 340.334130652
AVERAGEMASS 340.58356000000003
SMILES C(CCC(O)=O)CCCCCCCCCCCCCCCCCC
M END
