Mol:FL1DUNNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5257 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5257 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0613 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0613 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4019 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4019 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8651 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8651 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3283 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3283 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7915 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7915 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2548 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2548 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2548 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2548 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7915 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7915 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3283 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3283 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0613 -1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0613 -1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5257 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5257 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5741 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5741 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1737 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1737 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4099 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4099 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0249 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0249 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2548 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2548 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1293 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1293 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3840 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3840 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 7 1 0 0 0 0 | + | 6 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 2 11 2 0 0 0 0 | + | 2 11 2 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 0 0 0 0 |
| − | 13 16 2 0 0 0 0 | + | 13 16 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DUNNM0001 | + | ID FL1DUNNM0001 |
| − | KNApSAcK_ID C00007978 | + | KNApSAcK_ID C00007978 |
| − | NAME 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione | + | NAME 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione |
| − | CAS_RN 34328-56-8 | + | CAS_RN 34328-56-8 |
| − | FORMULA C17H18O3 | + | FORMULA C17H18O3 |
| − | EXACTMASS 270.12559444199997 | + | EXACTMASS 270.12559444199997 |
| − | AVERAGEMASS 270.32302 | + | AVERAGEMASS 270.32302 |
| − | SMILES c(c2)ccc(c2)CCC(=O)C(=C(C)1)C(=O)C(C)(C)C(=O)1 | + | SMILES c(c2)ccc(c2)CCC(=O)C(=C(C)1)C(=O)C(C)(C)C(=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/
20 21 0 0 0 0 0 0 0 0999 V2000
-0.5257 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4019 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 -0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2548 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2548 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3283 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -1.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5257 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5741 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1737 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1293 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 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 5 1 0 0 0 0
2 11 2 0 0 0 0
1 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
13 16 2 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 2 0 0 0 0
S SKP 8
ID FL1DUNNM0001
KNApSAcK_ID C00007978
NAME 4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
CAS_RN 34328-56-8
FORMULA C17H18O3
EXACTMASS 270.12559444199997
AVERAGEMASS 270.32302
SMILES c(c2)ccc(c2)CCC(=O)C(=C(C)1)C(=O)C(C)(C)C(=O)1
M END
