Mol:LBF18109MO03
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 1 0 0 0 0 0999 V2000 | + | 24 23 0 0 1 0 0 0 0 0999 V2000 |
| − | -5.1811 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1811 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0072 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0072 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0557 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0557 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1040 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1040 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0703 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0703 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0072 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0072 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5699 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5699 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1574 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1574 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3324 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3324 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9199 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9199 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4685 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4685 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8810 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8810 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7060 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7060 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1185 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1185 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9436 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9436 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3560 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3560 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1811 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1811 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0007 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0007 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4132 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4132 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4132 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4132 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1040 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1040 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3895 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3895 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 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 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 3 6 1 4 0 0 0 | + | 3 6 1 4 0 0 0 |
| − | 2 7 1 4 0 0 0 | + | 2 7 1 4 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 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 |
| − | 5 12 1 4 0 0 0 | + | 5 12 1 4 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 |
| − | 18 17 1 4 0 0 0 | + | 18 17 1 4 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 4 22 1 4 0 0 0 | + | 4 22 1 4 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 24 2 0 0 0 0 | + | 5 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18109MO03 | + | ID LBF18109MO03 |
| − | FORMULA C19H36O5 | + | FORMULA C19H36O5 |
| − | EXACTMASS 344.256274262 | + | EXACTMASS 344.256274262 |
| − | AVERAGEMASS 344.48614000000003 | + | AVERAGEMASS 344.48614000000003 |
| − | SMILES CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O | + | SMILES CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-5.1811 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0072 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0557 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1040 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0072 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5699 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1574 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3324 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9199 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4685 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1185 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9436 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3560 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0007 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4132 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4132 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1040 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 24 1 0 0 0 0
3 6 1 4 0 0 0
2 7 1 4 0 0 0
1 8 1 0 0 0 0
2 11 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
5 12 1 4 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
18 17 1 4 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
4 22 1 4 0 0 0
22 23 1 0 0 0 0
5 24 2 0 0 0 0
S SKP 5
ID LBF18109MO03
FORMULA C19H36O5
EXACTMASS 344.256274262
AVERAGEMASS 344.48614000000003
SMILES CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O
M END
