Mol:FL1CA9NI0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
2.5617 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5617 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3047 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9176 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9176 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5728 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6743 0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1241 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 0.5594 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 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 10 1 0 0 0 0
17 16 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SBV 1 25 -4.4504 4.3873
S SKP 8
ID FL1CA9NI0006
KNApSAcK_ID C00007087
NAME 2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone
CAS_RN 96386-70-8
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c(C(=O)C=Cc(c2)cccc2)1)cc(cc1O)OCC=C(C)C
M END
</pre>
