Mol:BMCCCC--q002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 17 0 0 0 0 0 0 0 0999 V2000 | + | 15 17 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.6473 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6691 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6691 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3601 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3601 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0292 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0292 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9209 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9209 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8345 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8345 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6435 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6435 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5390 -0.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5390 -0.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0074 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0074 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8164 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8164 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6254 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6254 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9563 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9563 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 11 4 2 0 0 0 0 | + | 11 4 2 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 12 5 1 0 0 0 0 | + | 12 5 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 1 2 0 0 0 0 | + | 10 1 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 13 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 2 15 1 0 0 0 0 | + | 2 15 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--q002 | + | ID BMCCCC--q002 |
| − | NAME 1,2-Dihydroxy-fluorene | + | NAME 1,2-Dihydroxy-fluorene |
| − | FORMULA C13H10O2 | + | FORMULA C13H10O2 |
| − | EXACTMASS 198.068 | + | EXACTMASS 198.068 |
| − | AVERAGEMASS 198.2172 | + | AVERAGEMASS 198.2172 |
| − | SMILES Oc(c3)c(O)c(C1)c(c3)c(c2)c(ccc2)1 | + | SMILES Oc(c3)c(O)c(C1)c(c3)c(c2)c(ccc2)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07724 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07724 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 17 0 0 0 0 0 0 0 0999 V2000
3.6473 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0292 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9209 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8345 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6435 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5390 -0.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3164 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0074 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8164 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6254 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 1 0 0 0 0
11 10 1 0 0 0 0
11 4 2 0 0 0 0
12 13 2 0 0 0 0
12 5 1 0 0 0 0
10 9 1 0 0 0 0
10 1 2 0 0 0 0
4 3 1 0 0 0 0
13 8 1 0 0 0 0
5 6 2 0 0 0 0
1 2 1 0 0 0 0
1 14 1 0 0 0 0
8 7 2 0 0 0 0
2 15 1 0 0 0 0
13 9 1 0 0 0 0
3 2 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMCCCC--q002
NAME 1,2-Dihydroxy-fluorene
FORMULA C13H10O2
EXACTMASS 198.068
AVERAGEMASS 198.2172
SMILES Oc(c3)c(O)c(C1)c(c3)c(c2)c(ccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07724
M END
