Mol:LBF24000BC01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 26 0 0 0 0 0 0 0 0999 V2000 | + | 27 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.5073 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5073 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9243 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9243 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3412 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3412 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7582 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7582 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1738 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1738 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5909 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5909 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0079 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0079 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4249 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4249 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1582 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1582 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7412 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7412 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3241 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3241 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9071 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9071 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4901 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4901 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0732 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0732 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7909 0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7909 0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7937 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7937 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5073 1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5073 1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9243 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9243 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3412 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3412 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7582 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7582 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1752 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1752 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5923 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5923 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0093 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0093 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4262 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4262 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1568 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1568 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4262 -1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4262 -1.4080 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 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 |
| − | 7 6 1 0 0 0 0 | + | 7 6 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 |
| − | 15 17 2 0 0 0 0 | + | 15 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF24000BC01 | + | ID LBF24000BC01 |
| − | FORMULA C25H50O2 | + | FORMULA C25H50O2 |
| − | EXACTMASS 382.381080844 | + | EXACTMASS 382.381080844 |
| − | AVERAGEMASS 382.6633 | + | AVERAGEMASS 382.6633 |
| − | SMILES C(CCCCC(O)=O)CCCCCCCCCCCCCCCCC(C)C | + | SMILES C(CCCCC(O)=O)CCCCCCCCCCCCCCCCC(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 0 0 0 0 0 0999 V2000
-4.5073 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3412 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1738 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0079 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4249 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0732 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7909 0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7937 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5073 1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5073 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3412 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 -0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4262 -1.4080 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 1 0 0 0 0
5 6 1 0 0 0 0
7 6 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
15 17 2 0 0 0 0
18 1 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 5
ID LBF24000BC01
FORMULA C25H50O2
EXACTMASS 382.381080844
AVERAGEMASS 382.6633
SMILES C(CCCCC(O)=O)CCCCCCCCCCCCCCCCC(C)C
M END
