Mol:FLIE1CNS0002
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 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3616 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3616 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3616 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3616 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8053 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8053 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2490 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2490 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2490 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2490 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8053 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8053 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6927 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6927 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1364 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1364 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1364 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1364 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6927 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6927 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4197 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4197 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4197 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4197 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0145 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0145 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6093 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6093 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6093 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6093 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0145 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0145 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6869 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6869 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9179 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9179 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2035 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2035 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4197 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4197 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2035 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2035 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9179 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9179 -0.1966 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 9 20 2 0 0 0 0 | + | 9 20 2 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 |
| − | 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -4.9189 5.1599 | + | M SBV 1 24 -4.9189 5.1599 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1CNS0002 | + | ID FLIE1CNS0002 |
| − | KNApSAcK_ID C00009763 | + | KNApSAcK_ID C00009763 |
| − | NAME 8-Methoxycoumestrol;3'-Methoxycoumestrol;7,12-Dihydroxy-11-methoxycoumestan | + | NAME 8-Methoxycoumestrol;3'-Methoxycoumestrol;7,12-Dihydroxy-11-methoxycoumestan |
| − | CAS_RN 13360-66-2 | + | CAS_RN 13360-66-2 |
| − | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
| − | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
| − | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
| − | SMILES COc(c(O)4)cc(c(c4)3)c(C(=O)1)c(o3)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c(O)4)cc(c(c4)3)c(C(=O)1)c(o3)c(c2)c(cc(O)c2)O1 |
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 25 0 0 0 0 0 0 0 0999 V2000
-2.3616 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3616 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4197 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4197 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2035 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4197 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2035 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 -0.1966 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 2 0 0 0 0
8 9 1 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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
9 20 2 0 0 0 0
15 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 24
M SMT 1 OCH3
M SBV 1 24 -4.9189 5.1599
S SKP 8
ID FLIE1CNS0002
KNApSAcK_ID C00009763
NAME 8-Methoxycoumestrol;3'-Methoxycoumestrol;7,12-Dihydroxy-11-methoxycoumestan
CAS_RN 13360-66-2
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES COc(c(O)4)cc(c(c4)3)c(C(=O)1)c(o3)c(c2)c(cc(O)c2)O1
M END
