Mol:FL1C1ANI0025
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 |
| − | -2.8261 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8261 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8429 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8429 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1353 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1353 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4142 -1.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 -1.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4008 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4008 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1084 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1084 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7065 -1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7065 -1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7199 -2.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7199 -2.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0146 -1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0146 -1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7222 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7222 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4433 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4433 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1510 -1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1510 -1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8721 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8721 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8855 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8855 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1778 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1778 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4567 -0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4567 -0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7545 0.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7545 0.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4665 0.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4665 0.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4919 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4919 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1084 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1084 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8348 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8348 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8348 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8348 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1663 2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1663 2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4919 2.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4919 2.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4477 0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4477 0.8798 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0025 | + | ID FL1C1ANI0025 |
| − | KNApSAcK_ID C00014450 | + | KNApSAcK_ID C00014450 |
| − | NAME 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone | + | NAME 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone |
| − | CAS_RN 336128-90-6 | + | CAS_RN 336128-90-6 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)O | + | SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)O |
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
-2.8261 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8429 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 -1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -1.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4008 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1084 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7065 -1.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 -2.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7222 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4433 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1510 -1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8721 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 -0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 0.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4665 0.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4919 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1084 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1663 2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4919 2.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4477 0.8798 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
14 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL1C1ANI0025
KNApSAcK_ID C00014450
NAME 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone
CAS_RN 336128-90-6
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)O
M END
