Mol:FLIE1ANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5083 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5083 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5983 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5200 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5200 -1.6763 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 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0248 -0.8826 | + | M SVB 1 23 2.0248 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANS0002 | + | ID FLIE1ANS0002 |
| − | KNApSAcK_ID C00009757 | + | KNApSAcK_ID C00009757 |
| − | NAME 9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan | + | NAME 9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan |
| − | CAS_RN 1690-62-6 | + | CAS_RN 1690-62-6 |
| − | FORMULA C16H10O5 | + | FORMULA C16H10O5 |
| − | EXACTMASS 282.05282343 | + | EXACTMASS 282.05282343 |
| − | AVERAGEMASS 282.2476 | + | AVERAGEMASS 282.2476 |
| − | SMILES COc(c4)cc(o1)c(c4)c(C(=O)2)c1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c4)cc(o1)c(c4)c(C(=O)2)c1c(c3)c(cc(O)c3)O2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.1830 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5983 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.6763 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
9 19 2 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0248 -0.8826
S SKP 8
ID FLIE1ANS0002
KNApSAcK_ID C00009757
NAME 9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan
CAS_RN 1690-62-6
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES COc(c4)cc(o1)c(c4)c(C(=O)2)c1c(c3)c(cc(O)c3)O2
M END
