Mol:FL2FA9NR0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6975 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3442 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3442 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3442 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3442 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6975 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6975 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3860 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3860 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3860 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3860 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 -1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 -1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4407 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4407 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9751 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9751 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9751 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9751 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4407 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4407 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5385 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5385 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0175 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0175 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0175 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0175 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5385 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5385 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9751 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9751 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0246 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0246 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5851 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0246 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0246 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2179 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2179 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3101 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3101 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3101 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3101 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1767 2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1767 2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6634 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6634 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6634 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6634 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1492 2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1492 2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7959 1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7959 1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2806 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2806 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7959 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7959 0.8435 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NR0002 | + | ID FL2FA9NR0002 |
| − | KNApSAcK_ID C00008404 | + | KNApSAcK_ID C00008404 |
| − | NAME Neolinderatone | + | NAME Neolinderatone |
| − | CAS_RN 123297-92-7 | + | CAS_RN 123297-92-7 |
| − | FORMULA C35H44O4 | + | FORMULA C35H44O4 |
| − | EXACTMASS 528.323959896 | + | EXACTMASS 528.323959896 |
| − | AVERAGEMASS 528.72146 | + | AVERAGEMASS 528.72146 |
| − | SMILES C(C(C(c(c32)c(c(C(C5C(C)C)C=C(CC5)C)c(O)c2C(=O)CC(c(c4)cccc4)O3)O)1)CCC(C)=C1)(C)C | + | SMILES C(C(C(c(c32)c(c(C(C5C(C)C)C=C(CC5)C)c(O)c2C(=O)CC(c(c4)cccc4)O3)O)1)CCC(C)=C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-0.6975 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3442 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6975 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 -0.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3860 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1492 2.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2806 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 0.8435 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
5 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
34 36 1 0 0 0 0
31 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL2FA9NR0002
KNApSAcK_ID C00008404
NAME Neolinderatone
CAS_RN 123297-92-7
FORMULA C35H44O4
EXACTMASS 528.323959896
AVERAGEMASS 528.72146
SMILES C(C(C(c(c32)c(c(C(C5C(C)C)C=C(CC5)C)c(O)c2C(=O)CC(c(c4)cccc4)O3)O)1)CCC(C)=C1)(C)C
M END
