Mol:FL1CDCNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4695 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4695 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4677 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4677 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7523 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7523 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0388 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0388 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0388 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0388 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7559 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7559 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3902 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3902 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1047 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1047 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8191 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8191 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5333 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5333 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2563 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2563 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2738 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2738 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5682 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5682 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8452 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8452 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1840 1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1840 1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8984 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8984 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7523 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7523 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4668 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4668 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8984 1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8984 1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5789 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5789 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7568 1.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7568 1.7964 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CDCNS0002 | + | ID FL1CDCNS0002 |
| − | KNApSAcK_ID C00014431 | + | KNApSAcK_ID C00014431 |
| − | NAME 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone | + | NAME 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| − | CAS_RN 151703-88-7 | + | CAS_RN 151703-88-7 |
| − | FORMULA C19H18O6 | + | FORMULA C19H18O6 |
| − | EXACTMASS 342.110338308 | + | EXACTMASS 342.110338308 |
| − | AVERAGEMASS 342.34262 | + | AVERAGEMASS 342.34262 |
| − | SMILES c(O3)(c1)c(OC3)ccc(C=CC(c(c(OC)2)c(OC)cc(OC)c2)=O)1 | + | SMILES c(O3)(c1)c(OC3)ccc(C=CC(c(c(OC)2)c(OC)cc(OC)c2)=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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4695 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4677 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7559 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3902 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 -0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8191 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5333 -0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2563 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5682 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8452 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1840 1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4668 -1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8984 1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 1.7964 0.0000 O 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 15 1 0 0 0 0
S SKP 8
ID FL1CDCNS0002
KNApSAcK_ID C00014431
NAME 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone
CAS_RN 151703-88-7
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(O3)(c1)c(OC3)ccc(C=CC(c(c(OC)2)c(OC)cc(OC)c2)=O)1
M END
