Mol:BMMCAS--q005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 17 0 0 0 0 0 0 0 0999 V2000 | + | 16 17 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 3 15 1 0 0 0 0 | + | 3 15 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCAS--q005 | + | ID BMMCAS--q005 |
| − | NAME 2,2',3-Trihydroxy-diphenyl-ether | + | NAME 2,2',3-Trihydroxy-diphenyl-ether |
| − | FORMULA C12H10O4 | + | FORMULA C12H10O4 |
| − | EXACTMASS 218.0579 | + | EXACTMASS 218.0579 |
| − | AVERAGEMASS 218.2054 | + | AVERAGEMASS 218.2054 |
| − | SMILES Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1 | + | SMILES Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07733 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07733 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
13 7 1 0 0 0 0
2 3 1 0 0 0 0
2 14 1 0 0 0 0
6 5 2 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
3 4 2 0 0 0 0
3 15 1 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
12 11 2 0 0 0 0
9 10 2 0 0 0 0
5 4 1 0 0 0 0
11 10 1 0 0 0 0
S SKP 7
ID BMMCAS--q005
NAME 2,2',3-Trihydroxy-diphenyl-ether
FORMULA C12H10O4
EXACTMASS 218.0579
AVERAGEMASS 218.2054
SMILES Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07733
M END
