Mol:LBF18206HP01
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 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.1522 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1522 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5411 1.7485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5411 1.7485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8757 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8757 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4636 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4636 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6393 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6393 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2272 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2272 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7401 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7401 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1522 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1522 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9732 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9732 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9732 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9732 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9732 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9732 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9732 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9732 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5411 2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5411 2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2549 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2549 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 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 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 4 12 1 4 0 0 0 | + | 4 12 1 4 0 0 0 |
| − | 9 18 1 0 0 0 0 | + | 9 18 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 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 2 0 0 0 0 | + | 2 21 2 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18206HP01 | + | ID LBF18206HP01 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES CCCCCC=CC=CC(OO)CCCCCCCC(O)=O | + | SMILES CCCCCC=CC=CC(OO)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.1522 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 1.7485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8757 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4636 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6393 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2272 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -1.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
3 4 1 0 0 0 0
1 5 1 0 0 0 0
2 8 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
9 10 2 0 0 0 0
9 11 1 0 0 0 0
4 12 1 4 0 0 0
9 18 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
4 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 2 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18206HP01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC=CC=CC(OO)CCCCCCCC(O)=O
M END
