Mol:FL1CGANS0001
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 |
| − | -3.2642 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2642 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7721 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7721 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1684 -0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 -0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0569 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0569 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5490 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5490 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1526 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1526 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4533 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4533 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3417 1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3417 1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7384 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7384 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6268 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6268 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0181 2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0181 2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0944 3.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0944 3.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4019 3.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4019 3.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0106 3.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0106 3.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1231 2.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1231 2.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0693 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0693 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6766 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6766 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6445 1.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6445 1.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4375 1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4375 1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6623 1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6623 1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9678 0.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9678 0.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9526 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9526 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3782 -0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3782 -0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5657 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5657 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2894 4.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2894 4.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4858 4.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4858 4.3609 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 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 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 26 | + | M SBL 4 1 26 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 26 2.5101 0.6504 | + | M SVB 4 26 2.5101 0.6504 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -3.2246 -0.2297 | + | M SVB 3 24 -3.2246 -0.2297 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.8674 0.9399 | + | M SVB 2 22 -2.8674 0.9399 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -0.8414 0.6422 | + | M SVB 1 20 -0.8414 0.6422 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CGANS0001 | + | ID FL1CGANS0001 |
| − | KNApSAcK_ID C00006990 | + | KNApSAcK_ID C00006990 |
| − | NAME 2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone | + | NAME 2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone |
| − | CAS_RN 58497-38-4 | + | CAS_RN 58497-38-4 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)ccc(OC)c1 | + | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)ccc(OC)c1 |
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
-3.2642 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7721 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 -0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0569 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1526 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3417 1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7384 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6268 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0181 2.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0944 3.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 3.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 3.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1231 2.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6445 1.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4375 1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6623 1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9678 0.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9526 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3782 -0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2894 4.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4858 4.3609 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
3 17 1 0 0 0 0
6 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
2 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 2.5101 0.6504
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -3.2246 -0.2297
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.8674 0.9399
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -0.8414 0.6422
S SKP 8
ID FL1CGANS0001
KNApSAcK_ID C00006990
NAME 2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone
CAS_RN 58497-38-4
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)ccc(OC)c1
M END
