Mol:FL3FA9NS0004
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5340 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5340 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0223 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0223 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0903 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0903 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0903 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0903 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2027 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2027 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7697 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7697 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3367 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3367 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7697 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7697 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2027 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2027 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1347 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1347 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6908 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6908 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2469 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2469 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2469 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2469 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7918 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3367 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3367 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7918 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7918 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6908 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6908 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0223 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0223 -1.4544 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 19 26 2 0 0 0 0 | + | 19 26 2 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NS0004 | + | ID FL3FA9NS0004 |
| − | KNApSAcK_ID C00003984 | + | KNApSAcK_ID C00003984 |
| − | NAME 5,7-Dihydroxyflavone 7-benzoate | + | NAME 5,7-Dihydroxyflavone 7-benzoate |
| − | CAS_RN 106009-51-2 | + | CAS_RN 106009-51-2 |
| − | FORMULA C22H14O5 | + | FORMULA C22H14O5 |
| − | EXACTMASS 358.084123558 | + | EXACTMASS 358.084123558 |
| − | AVERAGEMASS 358.34356 | + | AVERAGEMASS 358.34356 |
| − | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1 | + | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.5786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5340 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0903 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7697 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3367 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7697 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2027 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2469 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2469 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3367 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 -1.4544 0.0000 O 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
1 18 1 0 0 0 0
18 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
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
19 26 2 0 0 0 0
3 27 1 0 0 0 0
S SKP 8
ID FL3FA9NS0004
KNApSAcK_ID C00003984
NAME 5,7-Dihydroxyflavone 7-benzoate
CAS_RN 106009-51-2
FORMULA C22H14O5
EXACTMASS 358.084123558
AVERAGEMASS 358.34356
SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1
M END
