Mol:LBF23307PG02
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 28 0 0 0 0 0 0 0 0999 V2000 | + | 28 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.6359 -2.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6359 -2.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.4449 -2.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4449 -2.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.2539 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2539 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3571 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3571 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6848 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6848 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7638 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7638 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1761 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1761 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5828 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5828 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9950 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9950 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4017 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4017 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8140 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8140 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 -3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 -3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5258 -3.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5258 -3.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 -4.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -4.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 -5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3669 -5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -6.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -6.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2079 -6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2079 -6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6329 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6329 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6384 6.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6384 6.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0396 7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0396 7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5327 -0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5327 -0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4449 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4449 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7827 -3.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7827 -3.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2207 5.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2207 5.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8194 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8194 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 1 6 1 1 0 0 0 | + | 1 6 1 1 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 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 24 1 1 0 0 0 | + | 5 24 1 1 0 0 0 |
| − | 3 25 1 1 0 0 0 | + | 3 25 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 14 2 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 |
| − | 15 26 1 1 0 0 0 | + | 15 26 1 1 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 13 28 2 0 0 0 0 | + | 13 28 2 0 0 0 0 |
| − | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF23307PG02 | + | ID LBF23307PG02 |
| − | FORMULA C23H40O5 | + | FORMULA C23H40O5 |
| − | EXACTMASS 396.28757439 | + | EXACTMASS 396.28757439 |
| − | AVERAGEMASS 396.56070000000005 | + | AVERAGEMASS 396.56070000000005 |
| − | SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(OC(C)C)=O)[C@@H](C[C@H](O)1)O)O | + | SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(OC(C)C)=O)[C@@H](C[C@H](O)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 28 0 0 0 0 0 0 0 0999 V2000
6.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6359 -2.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 -2.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2539 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3571 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1761 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8140 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 -3.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3179 -4.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -6.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6329 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6384 6.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0396 7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 -0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -3.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 5.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8194 4.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
5 1 1 0 0 0 0
1 6 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 24 1 1 0 0 0
3 25 1 1 0 0 0
2 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 26 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
13 27 1 0 0 0 0
13 28 2 0 0 0 0
27 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF23307PG02
FORMULA C23H40O5
EXACTMASS 396.28757439
AVERAGEMASS 396.56070000000005
SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(OC(C)C)=O)[C@@H](C[C@H](O)1)O)O
M END
