Mol:BMSUM6A0--07
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.3660 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.3660 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5000 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5000 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.3660 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.2321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6340 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6340 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | 12 1 1 0 0 0 0 | + | 12 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 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 2 9 1 6 0 0 0 | + | 2 9 1 6 0 0 0 |
| − | 3 10 1 1 0 0 0 | + | 3 10 1 1 0 0 0 |
| − | 4 11 1 1 0 0 0 | + | 4 11 1 1 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6A0--07 | + | ID BMSUM6A0--07 |
| − | NAME D-Hamamelose | + | NAME D-Hamamelose |
| − | FORMULA C6H12O6 | + | FORMULA C6H12O6 |
| − | EXACTMASS 180.0633 | + | EXACTMASS 180.0633 |
| − | AVERAGEMASS 180.1558 | + | AVERAGEMASS 180.1558 |
| − | SMILES OC[C@](O)(C(O)1)[C@H](O)[C@H](O)CO1 | + | SMILES OC[C@](O)(C(O)1)[C@H](O)[C@H](O)CO1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01906 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01906 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
4.3660 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5000 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5000 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3660 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 12 1 0 0 0 0
12 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 5 1 0 0 0 0
2 9 1 6 0 0 0
3 10 1 1 0 0 0
4 11 1 1 0 0 0
2 6 1 1 0 0 0
6 8 1 0 0 0 0
1 7 1 4 0 0 0
S SKP 7
ID BMSUM6A0--07
NAME D-Hamamelose
FORMULA C6H12O6
EXACTMASS 180.0633
AVERAGEMASS 180.1558
SMILES OC[C@](O)(C(O)1)[C@H](O)[C@H](O)CO1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01906
M END
