Mol:FL2FAANI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2856 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2856 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2856 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2856 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7293 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7293 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1730 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1730 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1730 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1730 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7293 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7293 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6167 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6167 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0604 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0604 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0604 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0604 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6167 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6167 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5043 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5043 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0627 -0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0627 -0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0627 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0627 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5043 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5043 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6167 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6167 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8772 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8772 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2187 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2187 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7293 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7293 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8838 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8838 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5483 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5483 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2127 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2127 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2127 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2127 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8772 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8772 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0004 | + | ID FL2FAANI0004 |
| − | KNApSAcK_ID C00008235 | + | KNApSAcK_ID C00008235 |
| − | NAME Selinone | + | NAME Selinone |
| − | CAS_RN 14117-54-5 | + | CAS_RN 14117-54-5 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES c(c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(OCC=C(C)C)cc1 | + | SMILES c(c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(OCC=C(C)C)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-3.2856 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2856 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1730 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1730 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0604 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0604 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 -0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8772 -0.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2187 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8838 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2127 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2127 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL2FAANI0004
KNApSAcK_ID C00008235
NAME Selinone
CAS_RN 14117-54-5
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES c(c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(OCC=C(C)C)cc1
M END
