Mol:FL1C3ANS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 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 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -1.0313 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 |
| − | 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 |
| − | -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 |
| − | -1.0717 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 1.8563 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 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3ANS0004 | + | ID FL1C3ANS0004 |
| − | KNApSAcK_ID C00014421 | + | KNApSAcK_ID C00014421 |
| − | NAME Heliannone A;2',4-Dihydroxy-3',4'-dimethoxychalcone | + | NAME Heliannone A;2',4-Dihydroxy-3',4'-dimethoxychalcone |
| − | CAS_RN 193411-10-8 | + | CAS_RN 193411-10-8 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c2)c(OC)c(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1 | + | SMILES COc(c2)c(OC)c(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 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 -1.0313 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
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
-1.7862 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.8563 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 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
6 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
S SKP 8
ID FL1C3ANS0004
KNApSAcK_ID C00014421
NAME Heliannone A;2',4-Dihydroxy-3',4'-dimethoxychalcone
CAS_RN 193411-10-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c2)c(OC)c(O)c(c2)C(=O)C=Cc(c1)ccc(O)c1
M END
