Mol:FLIE1CNS0002
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
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
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