Mol:FLIA1ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2869 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2869 -1.5365 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 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.6609 -0.7426 | + | M SVB 1 21 1.6609 -0.7426 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1ANS0001 | + | ID FLIA1ANS0001 |
| − | KNApSAcK_ID C00002525 | + | KNApSAcK_ID C00002525 |
| − | NAME Formononetin | + | NAME Formononetin |
| − | CAS_RN 485-72-3 | + | CAS_RN 485-72-3 |
| − | FORMULA C16H12O4 | + | FORMULA C16H12O4 |
| − | EXACTMASS 268.073558872 | + | EXACTMASS 268.073558872 |
| − | AVERAGEMASS 268.26408 | + | AVERAGEMASS 268.26408 |
| − | SMILES COc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.8752 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8752 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3748 1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1266 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 1.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3754 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0908 0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2869 -1.5365 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
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.6609 -0.7426
S SKP 8
ID FLIA1ANS0001
KNApSAcK_ID C00002525
NAME Formononetin
CAS_RN 485-72-3
FORMULA C16H12O4
EXACTMASS 268.073558872
AVERAGEMASS 268.26408
SMILES COc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M END
