Mol:FL1CECNS0003
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 1.8563 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 |
| − | 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CECNS0003 | + | ID FL1CECNS0003 |
| − | KNApSAcK_ID C00014434 | + | KNApSAcK_ID C00014434 |
| − | NAME Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone | + | NAME Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone |
| − | CAS_RN 205444-64-0 | + | CAS_RN 205444-64-0 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES c(c1C(=O)C=Cc(c2)cc(O)c(O)c2)(O)cc(c(c1OC)OC)OC | + | SMILES c(c1C(=O)C=Cc(c2)cc(O)c(O)c2)(O)cc(c(c1OC)OC)OC |
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 26 0 0 0 0 0 0 0 0999 V2000
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.8563 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
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
6 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
15 24 1 0 0 0 0
17 25 1 0 0 0 0
S SKP 8
ID FL1CECNS0003
KNApSAcK_ID C00014434
NAME Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone
CAS_RN 205444-64-0
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES c(c1C(=O)C=Cc(c2)cc(O)c(O)c2)(O)cc(c(c1OC)OC)OC
M END
