Mol:FLIA19NM0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1018 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1018 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1018 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1018 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6581 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6581 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4545 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4545 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0108 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0108 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0108 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0108 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4545 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4545 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7705 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7705 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1617 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1617 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7565 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7565 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7565 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7565 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1617 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1617 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4545 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4545 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2635 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2635 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7565 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7565 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2634 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2634 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5669 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5669 1.1573 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 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 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA19NM0003 | + | ID FLIA19NM0003 |
| − | KNApSAcK_ID C00009395 | + | KNApSAcK_ID C00009395 |
| − | NAME 7-Acetyloxy-2-methylisoflavone | + | NAME 7-Acetyloxy-2-methylisoflavone |
| − | CAS_RN 3211-63-0 | + | CAS_RN 3211-63-0 |
| − | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
| − | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
| − | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
| − | SMILES c(C(=C(C)3)C(c(c2O3)ccc(OC(C)=O)c2)=O)(c1)cccc1 | + | SMILES c(C(=C(C)3)C(c(c2O3)ccc(OC(C)=O)c2)=O)(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.2144 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0108 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2635 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7565 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 0.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5669 1.1573 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
1 11 1 0 0 0 0
8 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
7 18 2 0 0 0 0
11 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
9 22 1 0 0 0 0
S SKP 8
ID FLIA19NM0003
KNApSAcK_ID C00009395
NAME 7-Acetyloxy-2-methylisoflavone
CAS_RN 3211-63-0
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(C(=C(C)3)C(c(c2O3)ccc(OC(C)=O)c2)=O)(c1)cccc1
M END
