Mol:LBF20207PG12
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.9449 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.9449 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.6359 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6359 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.4449 -1.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4449 -1.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.2539 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2539 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9449 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9449 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3571 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3571 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7638 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7638 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6848 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6848 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5258 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5258 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3669 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3669 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2079 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2079 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1761 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1761 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5828 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5828 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9950 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9950 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4017 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4017 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8140 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8140 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5327 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5327 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4449 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4449 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7827 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7827 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2207 6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2207 6.4950 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 |
| − | 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 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 5 21 2 0 0 0 0 | + | 5 21 2 0 0 0 0 |
| − | 3 22 1 1 0 0 0 | + | 3 22 1 1 0 0 0 |
| − | 2 8 1 6 0 0 0 | + | 2 8 1 6 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 23 1 1 0 0 0 | + | 10 23 1 1 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 |
| − | 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 |
| − | 7 16 1 0 0 0 0 | + | 7 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 |
| − | 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 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20207PG12 | + | ID LBF20207PG12 |
| − | FORMULA C20H36O4 | + | FORMULA C20H36O4 |
| − | EXACTMASS 340.26135963999997 | + | EXACTMASS 340.26135963999997 |
| − | AVERAGEMASS 340.49744 | + | AVERAGEMASS 340.49744 |
| − | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCCO)[C@@H](CC1=O)O)CC | + | SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCCO)[C@@H](CC1=O)O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
6.9449 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6359 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 -1.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2539 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9449 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3571 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5258 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3179 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3669 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1761 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9950 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4017 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8140 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5327 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4449 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7827 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2207 6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 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 1 1 0 0 0 0
1 6 1 1 0 0 0
6 7 1 0 0 0 0
5 21 2 0 0 0 0
3 22 1 1 0 0 0
2 8 1 6 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 23 1 1 0 0 0
10 11 1 0 0 0 0
11 12 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
7 16 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
19 20 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 5
ID LBF20207PG12
FORMULA C20H36O4
EXACTMASS 340.26135963999997
AVERAGEMASS 340.49744
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCCO)[C@@H](CC1=O)O)CC
M END
