Mol:FL2F1CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7719 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7719 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3075 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3075 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 0.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 0.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 0.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 0.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3075 -1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3075 -1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNS0001 | + | ID FL2F1CNS0001 |
| − | KNApSAcK_ID C00000945 | + | KNApSAcK_ID C00000945 |
| − | NAME Butin | + | NAME Butin |
| − | CAS_RN 492-14-8 | + | CAS_RN 492-14-8 |
| − | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
| − | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
| − | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
| − | SMILES Oc(c3)cc(O1)c(c3)C(=O)CC([H])1c(c2)cc(O)c(O)c2 | + | SMILES Oc(c3)cc(O1)c(c3)C(=O)CC([H])1c(c2)cc(O)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7719 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 -0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 0.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 -1.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
7 21 2 0 0 0 0
S SKP 8
ID FL2F1CNS0001
KNApSAcK_ID C00000945
NAME Butin
CAS_RN 492-14-8
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)cc(O1)c(c3)C(=O)CC([H])1c(c2)cc(O)c(O)c2
M END
