Mol:FL1AACNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2456 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2456 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2456 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2841 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2841 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3230 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3230 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6754 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6754 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8032 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8032 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1187 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1187 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0026 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0026 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2037 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2037 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9035 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9035 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5311 -1.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5311 -1.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7648 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7648 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0031 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0031 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0031 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0031 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3029 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3029 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4036 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4036 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9041 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9041 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2032 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2032 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9041 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9041 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8013 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8013 -2.0771 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AACNI0002 | + | ID FL1AACNI0002 |
| − | KNApSAcK_ID C00008034 | + | KNApSAcK_ID C00008034 |
| − | NAME Antiarone B | + | NAME Antiarone B |
| − | CAS_RN 128864-27-7 | + | CAS_RN 128864-27-7 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c3O)c(O)cc(c23)oc(c(=O)2)=Cc(c(CC=C(C)C)1)cc(CC=C(C)C)c(c1O)O | + | SMILES c(c3O)c(O)cc(c23)oc(c(=O)2)=Cc(c(CC=C(C)C)1)cc(CC=C(C)C)c(c1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.2456 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2456 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 0.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2841 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8032 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0026 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 -0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2037 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9035 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5311 -1.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7648 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0031 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0031 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3029 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 -1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9041 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 -2.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9041 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8013 -2.0771 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL1AACNI0002
KNApSAcK_ID C00008034
NAME Antiarone B
CAS_RN 128864-27-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c3O)c(O)cc(c23)oc(c(=O)2)=Cc(c(CC=C(C)C)1)cc(CC=C(C)C)c(c1O)O
M END
