Mol:FL1CG9NS0003
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 |
| − | -1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3954 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3954 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3954 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5077 -0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5077 -0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6807 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6807 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8931 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8931 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3089 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3089 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 25 | + | M SBL 4 1 25 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 25 -1.8318 -0.8029 | + | M SVB 4 25 -1.8318 -0.8029 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -2.3089 0.9399 | + | M SVB 3 23 -2.3089 0.9399 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -0.283 0.6422 | + | M SVB 2 21 -0.283 0.6422 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -1.1173 1.2154 | + | M SVB 1 19 -1.1173 1.2154 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CG9NS0003 | + | ID FL1CG9NS0003 |
| − | KNApSAcK_ID C00006984 | + | KNApSAcK_ID C00006984 |
| − | NAME 3'-Hydroxy-2',4',5',6'-tetramethoxychalcone | + | NAME 3'-Hydroxy-2',4',5',6'-tetramethoxychalcone |
| − | CAS_RN 80405-08-9 | + | CAS_RN 80405-08-9 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES C(c(c2OC)c(c(c(c2O)OC)OC)OC)(=O)C=Cc(c1)cccc1 | + | SMILES C(c(c2OC)c(c(c(c2O)OC)OC)OC)(=O)C=Cc(c1)cccc1 |
M END | M END | ||
| − | |||
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
-1.9517 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9517 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3954 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3954 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2736 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8297 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5077 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 -0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8931 1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8318 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
2 17 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 25
M SMT 4 OCH3
M SVB 4 25 -1.8318 -0.8029
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -2.3089 0.9399
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -0.283 0.6422
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -1.1173 1.2154
S SKP 8
ID FL1CG9NS0003
KNApSAcK_ID C00006984
NAME 3'-Hydroxy-2',4',5',6'-tetramethoxychalcone
CAS_RN 80405-08-9
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES C(c(c2OC)c(c(c(c2O)OC)OC)OC)(=O)C=Cc(c1)cccc1
M END
