Mol:LBF237nnPG02
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 28 29 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.1372 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 |
| − | 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 |
| − | 1 6 1 1 0 0 0 | + | 1 6 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 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF237nnPG02 | + | ID LBF237nnPG02 |
| − | FORMULA C23H32O5 | + | FORMULA C23H32O5 |
| − | EXACTMASS 388.224974134 | + | EXACTMASS 388.224974134 |
| − | AVERAGEMASS 388.49718 | + | AVERAGEMASS 388.49718 |
| − | SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O | + | SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=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 29 0 0 0 0 0 0 0 0999 V2000
6.6359 2.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5494 2.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4449 3.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4667 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9667 2.7546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4280 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4154 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 -0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -1.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4154 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 0.4182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2815 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2815 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 -4.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0135 -3.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0135 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9722 2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1880 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1475 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -3.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1372 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
5 24 1 1 0 0 0
3 25 1 1 0 0 0
1 6 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 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
13 27 1 0 0 0 0
13 28 2 0 0 0 0
S SKP 5
ID LBF237nnPG02
FORMULA C23H32O5
EXACTMASS 388.224974134
AVERAGEMASS 388.49718
SMILES C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O
M END
