Mol:LBF21503HO03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | -3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 23 6 1 0 0 0 0 | + | 23 6 1 0 0 0 0 |
| − | 25 24 1 4 0 0 0 | + | 25 24 1 4 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 13 12 1 4 0 0 0 | + | 13 12 1 4 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 7 1 4 0 0 0 | + | 18 7 1 4 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 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 5 23 2 0 0 0 0 | + | 5 23 2 0 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 8 25 2 0 0 0 0 | + | 8 25 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21503HO03 | + | ID LBF21503HO03 |
| − | FORMULA C21H32O4 | + | FORMULA C21H32O4 |
| − | EXACTMASS 348.23005951199997 | + | EXACTMASS 348.23005951199997 |
| − | AVERAGEMASS 348.47637999999995 | + | AVERAGEMASS 348.47637999999995 |
| − | SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC | + | SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
-3.8349 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0099 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2734 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4308 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0842 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2592 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1053 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5924 -0.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4797 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5924 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4814 0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2407 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6845 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 -1.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0020 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6270 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1420 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9205 0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4055 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 2 1 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
23 6 1 0 0 0 0
25 24 1 4 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
4 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
6 18 1 0 0 0 0
18 7 1 4 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 2 0 0 0 0
3 22 2 0 0 0 0
5 23 2 0 0 0 0
7 24 2 0 0 0 0
8 25 2 0 0 0 0
S SKP 5
ID LBF21503HO03
FORMULA C21H32O4
EXACTMASS 348.23005951199997
AVERAGEMASS 348.47637999999995
SMILES C(CC=CCC=CCC(OO)C=CC=CCCCC(OC)=O)=CCC
M END
