Mol:FL3FAINP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8055 0.3627 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 20 6 1 0 0 0 0 | + | 20 6 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 5 1 0 0 0 0 | + | 27 5 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAINP0001 | + | ID FL3FAINP0001 |
| − | KNApSAcK_ID C00013440 | + | KNApSAcK_ID C00013440 |
| − | NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 259814-39-6 | + | CAS_RN 259814-39-6 |
| − | FORMULA C22H20O7 | + | FORMULA C22H20O7 |
| − | EXACTMASS 396.120902994 | + | EXACTMASS 396.120902994 |
| − | AVERAGEMASS 396.39 | + | AVERAGEMASS 396.39 |
| − | SMILES C(O1)(C=Cc(c4O)c1cc(c34)OC(=CC(=O)3)c(c2)cc(c(c(OC)2)O)OC)(C)C | + | SMILES C(O1)(C=Cc(c4O)c1cc(c34)OC(=CC(=O)3)c(c2)cc(c(c(OC)2)O)OC)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 0.3627 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
1 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 2 1 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
20 6 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
19 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 5 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL3FAINP0001
KNApSAcK_ID C00013440
NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 259814-39-6
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES C(O1)(C=Cc(c4O)c1cc(c34)OC(=CC(=O)3)c(c2)cc(c(c(OC)2)O)OC)(C)C
M END
