Mol:FL1C1ANI0022
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-0.8701 -0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2040 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2040 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8701 1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5362 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5362 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1110 1.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8701 -0.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4441 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1220 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4441 -0.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1375 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7879 0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1375 1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3356 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2556 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9534 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9534 0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6960 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6960 -1.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3356 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
2 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL1C1ANI0022
KNApSAcK_ID C00011139
NAME 3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone
CAS_RN -
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c1C(=O)C=Cc(c2)ccc(O)c2)(c(CC(O)C(C)=O)c(O)cc1)O
M END
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