Mol:BMSUM6Hr--03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 3 10 1 6 0 0 0 | + | 3 10 1 6 0 0 0 |
| − | 2 9 1 6 0 0 0 | + | 2 9 1 6 0 0 0 |
| − | 1 7 1 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 4 11 1 1 0 0 0 | + | 4 11 1 1 0 0 0 |
| − | 6 13 1 1 0 0 0 | + | 6 13 1 1 0 0 0 |
| − | 5 12 1 6 0 0 0 | + | 5 12 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Hr--03 | + | ID BMSUM6Hr--03 |
| − | NAME 1L-1-O-Methyl-myo-inositol | + | NAME 1L-1-O-Methyl-myo-inositol |
| − | FORMULA C7H14O6 | + | FORMULA C7H14O6 |
| − | EXACTMASS 194.079 | + | EXACTMASS 194.079 |
| − | AVERAGEMASS 194.1824 | + | AVERAGEMASS 194.1824 |
| − | SMILES CO[C@@H]([C@@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 | + | SMILES CO[C@@H]([C@@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03660 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03660 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
3 10 1 6 0 0 0
2 9 1 6 0 0 0
1 7 1 6 0 0 0
4 11 1 1 0 0 0
6 13 1 1 0 0 0
5 12 1 6 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMSUM6Hr--03
NAME 1L-1-O-Methyl-myo-inositol
FORMULA C7H14O6
EXACTMASS 194.079
AVERAGEMASS 194.1824
SMILES CO[C@@H]([C@@H](O)1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03660
M END
