Mol:FL5FDANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1306 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1306 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1306 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0180 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0180 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0946 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5383 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5383 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7846 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7846 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2177 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2177 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6507 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6507 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6875 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6875 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6867 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6867 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2416 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2416 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3514 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3514 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3514 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3514 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9606 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9606 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8266 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8266 -1.4911 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.3049 -0.6761 | + | M SVB 1 28 1.3049 -0.6761 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDANI0002 | + | ID FL5FDANI0002 |
| − | KNApSAcK_ID C00004996 | + | KNApSAcK_ID C00004996 |
| − | NAME Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 109605-79-0 | + | CAS_RN 109605-79-0 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES O(C(c(c3)ccc(O)c3)=2)c(c1C(C2OC)=O)cc(c(CC=C(C)C)c1O)O | + | SMILES O(C(c(c3)ccc(O)c3)=2)c(c1C(C2OC)=O)cc(c(CC=C(C)C)c1O)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.1306 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8266 -1.4911 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
3 24 1 0 0 0 0
15 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.3049 -0.6761
S SKP 8
ID FL5FDANI0002
KNApSAcK_ID C00004996
NAME Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 109605-79-0
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES O(C(c(c3)ccc(O)c3)=2)c(c1C(C2OC)=O)cc(c(CC=C(C)C)c1O)O
M END
