Mol:FL4DALNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5404 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5404 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0069 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0069 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5426 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5426 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 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 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 5 28 1 0 0 0 0 | + | 5 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0001 | + | ID FL4DALNI0001 |
| − | KNApSAcK_ID C00008627 | + | KNApSAcK_ID C00008627 |
| − | NAME Kushenol L | + | NAME Kushenol L |
| − | CAS_RN 101236-50-4 | + | CAS_RN 101236-50-4 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES c(c32)(c(c(CC=C(C)C)c(O)c3CC=C(C)C)O)C(C(C(O2)c(c1O)ccc(O)c1)O)=O | + | SMILES c(c32)(c(c(CC=C(C)C)c(O)c3CC=C(C)C)O)C(C(C(O2)c(c1O)ccc(O)c1)O)=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/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0635 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0748 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5404 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1426 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0069 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1042 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1426 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0630 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5834 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 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 6 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
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 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
6 27 1 0 0 0 0
5 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
S SKP 8
ID FL4DALNI0001
KNApSAcK_ID C00008627
NAME Kushenol L
CAS_RN 101236-50-4
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES c(c32)(c(c(CC=C(C)C)c(O)c3CC=C(C)C)O)C(C(C(O2)c(c1O)ccc(O)c1)O)=O
M END
