Mol:BMCCVE--0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 1 0 0 0 0 0999 V2000 | + | 30 31 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 29 2 0 0 0 0 | + | 8 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 5 2 0 0 0 0 | + | 30 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 29 1 1 0 0 0 0 | + | 29 1 1 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 30 1 0 0 0 0 | + | 4 30 1 0 0 0 0 |
| − | 2 9 1 0 0 0 0 | + | 2 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 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 25 1 4 0 0 0 | + | 12 25 1 4 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 |
| − | 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 |
| − | 16 26 1 4 0 0 0 | + | 16 26 1 4 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 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 2 21 1 4 0 0 0 | + | 2 21 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCVE--0002 | + | ID BMCCVE--0002 |
| − | NAME gamma-Tocopherol | + | NAME gamma-Tocopherol |
| − | FORMULA C28H48O2 | + | FORMULA C28H48O2 |
| − | EXACTMASS 416.3654 | + | EXACTMASS 416.3654 |
| − | AVERAGEMASS 416.6795 | + | AVERAGEMASS 416.6795 |
| − | SMILES C(C(C)CCCC(CCCC(C)C)C)CCC(O1)(C)CCc(c2)c1c(c(C)c(O)2)C | + | SMILES C(C(C)CCCC(CCCC(C)C)C)CCC(O1)(C)CCc(c2)c1c(c(C)c(O)2)C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02483 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02483 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 1 0 0 0 0 0999 V2000
3.0000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5000 0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.5000 4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 29 2 0 0 0 0
29 30 1 0 0 0 0
30 5 2 0 0 0 0
5 6 1 0 0 0 0
6 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
29 1 1 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 30 1 0 0 0 0
2 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
12 13 1 0 0 0 0
12 25 1 4 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 26 1 4 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 27 1 0 0 0 0
20 28 1 0 0 0 0
2 21 1 4 0 0 0
S SKP 7
ID BMCCVE--0002
NAME gamma-Tocopherol
FORMULA C28H48O2
EXACTMASS 416.3654
AVERAGEMASS 416.6795
SMILES C(C(C)CCCC(CCCC(C)C)C)CCC(O1)(C)CCc(c2)c1c(c(C)c(O)2)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02483
M END
