Mol:LBF18208HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 26 0 0 1 0 0 0 0 0999 V2000 | + | 27 26 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.2414 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2414 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5853 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5853 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0614 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0614 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0614 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0614 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0614 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0614 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4740 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4740 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0614 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0614 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5852 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5852 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2997 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2997 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4747 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4747 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2997 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2997 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1247 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1247 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9355 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9355 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2856 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2856 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8290 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2414 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2414 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2414 1.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2414 1.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8290 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8290 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 |
| − | 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 |
| − | 11 10 1 4 0 0 0 | + | 11 10 1 4 0 0 0 |
| − | 4 12 1 4 0 0 0 | + | 4 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 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 |
| − | 11 22 1 0 0 0 0 | + | 11 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 2 0 0 0 0 | + | 2 26 2 0 0 0 0 |
| − | 3 27 2 0 0 0 0 | + | 3 27 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18208HP01 | + | ID LBF18208HP01 |
| − | FORMULA C23H42O4 | + | FORMULA C23H42O4 |
| − | EXACTMASS 382.30830983199996 | + | EXACTMASS 382.30830983199996 |
| − | AVERAGEMASS 382.57718 | + | AVERAGEMASS 382.57718 |
| − | SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC | + | SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 26 0 0 1 0 0 0 0 0999 V2000
-2.2414 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5853 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4740 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4747 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1247 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2856 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 1.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2841 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26 27 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
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
11 10 1 4 0 0 0
4 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
14 16 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 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
11 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 2 0 0 0 0
3 27 2 0 0 0 0
S SKP 5
ID LBF18208HP01
FORMULA C23H42O4
EXACTMASS 382.30830983199996
AVERAGEMASS 382.57718
SMILES C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC
M END
