Mol:LBF202nnPG03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 26 0 0 0 0 0 0 0 0999 V2000 | + | 26 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.9801 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7113 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7113 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7553 -3.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7553 -3.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 -6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 -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 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 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 |
| − | 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 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 0 0 0 |
| − | 10 21 2 0 0 0 0 | + | 10 21 2 0 0 0 0 |
| − | 5 22 1 6 0 0 0 | + | 5 22 1 6 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 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 |
| − | 3 23 1 6 0 0 0 | + | 3 23 1 6 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 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 20 26 2 0 0 0 0 | + | 20 26 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF202nnPG03 | + | ID LBF202nnPG03 |
| − | FORMULA C20H34O6 | + | FORMULA C20H34O6 |
| − | EXACTMASS 370.23553882 | + | EXACTMASS 370.23553882 |
| − | AVERAGEMASS 370.48036 | + | AVERAGEMASS 370.48036 |
| − | SMILES C(CCC(=O)CC[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC | + | SMILES C(CCC(=O)CC[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000
7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9801 -1.9341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4801 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0679 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7553 -3.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -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
1 5 1 0 0 0 0
6 7 1 0 0 0 0
8 9 1 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
1 8 1 1 0 0 0
10 21 2 0 0 0 0
5 22 1 6 0 0 0
2 6 1 6 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
3 23 1 6 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
7 24 2 0 0 0 0
20 25 1 0 0 0 0
20 26 2 0 0 0 0
S SKP 5
ID LBF202nnPG03
FORMULA C20H34O6
EXACTMASS 370.23553882
AVERAGEMASS 370.48036
SMILES C(CCC(=O)CC[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC
M END
