Mol:LBF21107HP01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 29 0 0 1 0 0 0 0 0999 V2000 | + | 29 29 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.4014 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4014 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5227 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5227 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8916 -0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8916 -0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2507 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2507 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1042 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1042 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6549 0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6549 0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7015 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7015 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3990 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3990 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1222 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1222 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5478 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5478 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3990 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3990 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8840 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8840 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3096 -0.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3096 -0.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3096 0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3096 0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8840 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8840 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9949 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9949 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4204 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4204 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2717 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2717 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6972 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6972 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7014 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7014 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4386 0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4386 0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4014 0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4014 0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6641 0.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6641 0.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 27 1 4 0 0 0 | + | 1 27 1 4 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 7 6 1 4 0 0 0 | + | 7 6 1 4 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 14 13 1 4 0 0 0 | + | 14 13 1 4 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 11 22 1 0 0 0 0 | + | 11 22 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 10 23 1 4 0 0 0 | + | 10 23 1 4 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 2 27 2 0 0 0 0 | + | 2 27 2 0 0 0 0 |
| − | 3 28 2 0 0 0 0 | + | 3 28 2 0 0 0 0 |
| − | 4 29 2 0 0 0 0 | + | 4 29 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21107HP01 | + | ID LBF21107HP01 |
| − | FORMULA C21H34O8 | + | FORMULA C21H34O8 |
| − | EXACTMASS 414.225368064 | + | EXACTMASS 414.225368064 |
| − | AVERAGEMASS 414.48986 | + | AVERAGEMASS 414.48986 |
| − | SMILES C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC | + | SMILES C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 29 0 0 1 0 0 0 0 0999 V2000
-2.4014 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5227 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8916 -0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2507 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1042 0.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6549 0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7015 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3990 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1222 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5478 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3990 -0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 -0.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9949 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4204 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2717 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6972 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7014 0.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6641 0.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3023 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 4 0 0 0
2 28 1 0 0 0 0
3 29 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 4 0 0 0
7 6 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
7 10 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
14 13 1 4 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
1 19 1 0 0 0 0
11 22 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
10 23 1 4 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 2 0 0 0 0
3 28 2 0 0 0 0
4 29 2 0 0 0 0
S SKP 5
ID LBF21107HP01
FORMULA C21H34O8
EXACTMASS 414.225368064
AVERAGEMASS 414.48986
SMILES C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC
M END
