Mol:FLIA4ANS0002
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 |
| − | -1.9253 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8127 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8127 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8127 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8127 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2999 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2999 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2999 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2999 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8560 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8560 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8560 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8560 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4508 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4508 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0456 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0456 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0456 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0456 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4508 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4508 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4814 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4814 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3690 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3690 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6398 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6398 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9253 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9253 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 23 -5.3581 4.3397 | + | M SBV 1 23 -5.3581 4.3397 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA4ANS0002 | + | ID FLIA4ANS0002 |
| − | KNApSAcK_ID C00009868 | + | KNApSAcK_ID C00009868 |
| − | NAME 7,8,4'-Trihydroxy-6-methoxyisoflavone | + | NAME 7,8,4'-Trihydroxy-6-methoxyisoflavone |
| − | CAS_RN 113762-90-6 | + | CAS_RN 113762-90-6 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c1)c(O)c(O)c(O3)c1C(=O)C(=C3)c(c2)ccc(O)c2 | + | SMILES COc(c1)c(O)c(O)c(O3)c1C(=O)C(=C3)c(c2)ccc(O)c2 |
M END | M END | ||
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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
-1.9253 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4814 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
6 19 1 0 0 0 0
14 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 ^OCH3
M SBV 1 23 -5.3581 4.3397
S SKP 8
ID FLIA4ANS0002
KNApSAcK_ID C00009868
NAME 7,8,4'-Trihydroxy-6-methoxyisoflavone
CAS_RN 113762-90-6
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c1)c(O)c(O)c(O3)c1C(=O)C(=C3)c(c2)ccc(O)c2
M END
