Mol:FL2FALNI0008
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 |
| − | -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0196 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1430 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1430 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0065 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0065 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5431 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 1.8032 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 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 |
| − | 5 27 1 0 0 0 0 | + | 5 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 FL2FALNI0008 | + | ID FL2FALNI0008 |
| − | KNApSAcK_ID C00008466 | + | KNApSAcK_ID C00008466 |
| − | NAME Kushenol E | + | NAME Kushenol E |
| − | CAS_RN 99119-72-9 | + | CAS_RN 99119-72-9 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c(CC=C(C)C)3)(c1c(O)c(CC=C(C)C)c3O)OC(c(c2)c(O)cc(O)c2)CC(=O)1 | + | SMILES c(c(CC=C(C)C)3)(c1c(O)c(CC=C(C)C)c3O)OC(c(c2)c(O)cc(O)c2)CC(=O)1 |
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
-1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1430 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0065 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 1.8032 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
6 18 1 0 0 0 0
2 19 1 0 0 0 0
20 15 1 0 0 0 0
17 21 1 0 0 0 0
1 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
5 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 FL2FALNI0008
KNApSAcK_ID C00008466
NAME Kushenol E
CAS_RN 99119-72-9
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c(CC=C(C)C)3)(c1c(O)c(CC=C(C)C)c3O)OC(c(c2)c(O)cc(O)c2)CC(=O)1
M END
