Mol:LBF18207HP02
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 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2414 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1390 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1390 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0469 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0469 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4593 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4593 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0469 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0469 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4593 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4593 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0469 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0469 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4593 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4593 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0469 -3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0469 -3.3618 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 |
| − | -1.9355 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9355 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5231 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5231 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2856 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2856 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1398 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1398 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4253 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4253 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4253 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4253 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2503 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2503 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4253 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4253 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 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 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 4 0 0 0 | + | 2 20 1 4 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 3 26 2 0 0 0 0 | + | 3 26 2 0 0 0 0 |
| − | 4 27 2 0 0 0 0 | + | 4 27 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18207HP02 | + | ID LBF18207HP02 |
| − | FORMULA C23H42O4 | + | FORMULA C23H42O4 |
| − | EXACTMASS 382.30830983199996 | + | EXACTMASS 382.30830983199996 |
| − | AVERAGEMASS 382.57718 | + | AVERAGEMASS 382.57718 |
| − | SMILES C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC | + | SMILES C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC |
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 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4593 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4593 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4593 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 -3.3618 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
-1.9355 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2856 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1398 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2503 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 3.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3997 2.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2067 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 26 1 0 0 0 0
3 27 1 0 0 0 0
4 5 1 4 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
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
1 16 1 0 0 0 0
2 19 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 4 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
3 26 2 0 0 0 0
4 27 2 0 0 0 0
S SKP 5
ID LBF18207HP02
FORMULA C23H42O4
EXACTMASS 382.30830983199996
AVERAGEMASS 382.57718
SMILES C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC
M END
