Mol:LBF25307PG01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 33 0 0 0 0 0 0 0 0999 V2000 | + | 33 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 7.8959 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.8959 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.5869 -1.0873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.5869 -1.0873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.3959 -1.6751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.3959 -1.6751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 9.2050 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2050 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8959 -0.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.8959 -0.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.6359 -1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6359 -1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4280 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4280 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3082 0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3082 0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7149 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7149 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1271 2.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1271 2.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.5338 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5338 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9461 4.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9461 4.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3528 5.0315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.3528 5.0315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 8.3473 5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3473 5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4769 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4769 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2690 -3.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2690 -3.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3179 -3.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3179 -3.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1100 -4.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1100 -4.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1590 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1590 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7541 6.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7541 6.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7705 5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7705 5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1827 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1827 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4783 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4783 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0660 1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0660 1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3959 -2.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3959 -2.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1326 2.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1326 2.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4837 0.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4837 0.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -6.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -6.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4158 -4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4158 -4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7650 5.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7650 5.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3638 4.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3638 4.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8850 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8850 -0.3453 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 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 3 26 1 6 0 0 0 | + | 3 26 1 6 0 0 0 |
| − | 2 6 1 6 0 0 0 | + | 2 6 1 6 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 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 |
| − | 13 14 1 4 0 0 0 | + | 13 14 1 4 0 0 0 |
| − | 10 27 1 1 0 0 0 | + | 10 27 1 1 0 0 0 |
| − | 7 15 2 0 0 0 0 | + | 7 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 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 |
| − | 5 28 1 6 0 0 0 | + | 5 28 1 6 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | 19 30 2 0 0 0 0 | + | 19 30 2 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 22 1 0 0 0 0 | + | 31 22 1 0 0 0 0 |
| − | 22 32 2 0 0 0 0 | + | 22 32 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 28 24 1 0 0 0 0 | + | 28 24 1 0 0 0 0 |
| − | 24 33 2 0 0 0 0 | + | 24 33 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF25307PG01 | + | ID LBF25307PG01 |
| − | FORMULA C25H40O8 | + | FORMULA C25H40O8 |
| − | EXACTMASS 468.27231825599995 | + | EXACTMASS 468.27231825599995 |
| − | AVERAGEMASS 468.5803 | + | AVERAGEMASS 468.5803 |
| − | SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC | + | SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@H](OC(C)=O)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/
33 33 0 0 0 0 0 0 0 0999 V2000
7.8959 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5869 -1.0873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3959 -1.6751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2050 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8959 -0.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6359 -1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4280 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3082 0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7149 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1271 2.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5338 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9461 4.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3528 5.0315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.3473 5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 -3.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3179 -3.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -4.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7541 6.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7705 5.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1827 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4783 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0660 1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3959 -2.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1326 2.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4837 0.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -6.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7650 5.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3638 4.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8850 -0.3453 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
5 4 1 0 0 0 0
1 5 1 0 0 0 0
3 26 1 6 0 0 0
2 6 1 6 0 0 0
6 7 1 0 0 0 0
1 8 1 1 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
13 14 1 4 0 0 0
10 27 1 1 0 0 0
7 15 2 0 0 0 0
15 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
5 28 1 6 0 0 0
14 20 1 0 0 0 0
19 29 1 0 0 0 0
19 30 2 0 0 0 0
29 21 1 0 0 0 0
13 31 1 0 0 0 0
31 22 1 0 0 0 0
22 32 2 0 0 0 0
22 23 1 0 0 0 0
28 24 1 0 0 0 0
24 33 2 0 0 0 0
24 25 1 0 0 0 0
S SKP 5
ID LBF25307PG01
FORMULA C25H40O8
EXACTMASS 468.27231825599995
AVERAGEMASS 468.5803
SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(OC)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC
M END
