Mol:FLIAAANP0017
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4142 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4142 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8579 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8579 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8579 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8579 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2547 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2547 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8110 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8110 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8110 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8110 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2547 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2547 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3671 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3671 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3671 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3671 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9619 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9619 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5567 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5567 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5567 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5567 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9619 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9619 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2547 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2547 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8579 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8579 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9703 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9703 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9703 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9703 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5252 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5252 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5252 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5252 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0801 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0801 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8579 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8579 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4142 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9705 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9705 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9705 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9705 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9705 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9705 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5171 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5171 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1462 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1462 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1462 -1.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1462 -1.8373 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 1 1 0 0 0 0 | + | 27 1 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 30 14 1 0 0 0 0 | + | 30 14 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0017 | + | ID FLIAAANP0017 |
| − | KNApSAcK_ID C00009949 | + | KNApSAcK_ID C00009949 |
| − | NAME Euchrenone b7 | + | NAME Euchrenone b7 |
| − | CAS_RN 130170-03-5 | + | CAS_RN 130170-03-5 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(O4)(C)(C)C=Cc(c34)c(c1c(O)c3CCC(C)(C)O)OC=C(c(c2)ccc(c2)O)C1=O | + | SMILES C(O4)(C)(C)C=Cc(c34)c(c1c(O)c3CCC(C)(C)O)OC=C(c(c2)ccc(c2)O)C1=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 34 0 0 0 0 0 0 0 0999 V2000
-1.4142 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8110 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1462 -1.8373 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 1 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
30 14 1 0 0 0 0
21 31 1 0 0 0 0
S SKP 8
ID FLIAAANP0017
KNApSAcK_ID C00009949
NAME Euchrenone b7
CAS_RN 130170-03-5
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(O4)(C)(C)C=Cc(c34)c(c1c(O)c3CCC(C)(C)O)OC=C(c(c2)ccc(c2)O)C1=O
M END
