Mol:FL1CHYNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9568 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9568 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9568 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9568 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5278 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5278 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5278 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5278 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2554 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2554 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9718 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9718 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9718 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9718 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2554 -2.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2554 -2.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7495 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7495 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4640 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4640 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1784 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1784 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1784 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1784 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4640 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4640 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7495 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7495 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 -2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 -2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1531 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1531 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6754 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6754 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5792 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5792 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1784 -0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1784 -0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2423 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9260 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9260 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9260 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9260 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3004 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3004 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5339 2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5339 2.2587 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNI0007 | + | ID FL1CHYNI0007 |
| − | KNApSAcK_ID C00014492 | + | KNApSAcK_ID C00014492 |
| − | NAME 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone | + | NAME 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone |
| − | CAS_RN 474539-46-3 | + | CAS_RN 474539-46-3 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES C(c(c1O)c(cc(O)c1C(C=C(O)c(c2)cccc2)=O)OC)C=C(C)C | + | SMILES C(c(c1O)c(cc(O)c1C(C=C(O)c(c2)cccc2)=O)OC)C=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-1.9568 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 -1.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5278 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5278 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 -1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9718 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9718 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2554 -2.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7495 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4640 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1784 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1784 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4640 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7495 0.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 -2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1531 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 -0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5792 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1784 -0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2423 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3004 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5339 2.2587 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 1 0 0 0 0
8 9 2 0 0 0 0
7 10 2 0 0 0 0
9 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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
9 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL1CHYNI0007
KNApSAcK_ID C00014492
NAME 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
CAS_RN 474539-46-3
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES C(c(c1O)c(cc(O)c1C(C=C(O)c(c2)cccc2)=O)OC)C=C(C)C
M END
