Mol:FLNF19NP0002
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5559 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5559 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7309 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7309 -2.5707 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 1 0 0 0 0 | + | 3 4 1 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 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 16 18 2 0 0 0 0 | + | 16 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 16 1 0 0 0 0 | + | 22 16 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 13 27 1 1 0 0 0 | + | 13 27 1 1 0 0 0 |
| − | 12 28 1 6 0 0 0 | + | 12 28 1 6 0 0 0 |
| − | 10 29 1 0 0 0 0 | + | 10 29 1 0 0 0 0 |
| − | 14 30 2 0 0 0 0 | + | 14 30 2 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNF19NP0002 | + | ID FLNF19NP0002 |
| − | KNApSAcK_ID C00010270 | + | KNApSAcK_ID C00010270 |
| − | NAME Chapelieric acid methyl ester | + | NAME Chapelieric acid methyl ester |
| − | CAS_RN 34336-12-4 | + | CAS_RN 34336-12-4 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O | + | SMILES C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7309 -2.5707 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 1 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
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 6 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
7 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
16 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 16 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
24 26 1 0 0 0 0
13 27 1 1 0 0 0
12 28 1 6 0 0 0
10 29 1 0 0 0 0
14 30 2 0 0 0 0
3 31 1 0 0 0 0
3 32 1 0 0 0 0
S SKP 8
ID FLNF19NP0002
KNApSAcK_ID C00010270
NAME Chapelieric acid methyl ester
CAS_RN 34336-12-4
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O
M END
