Mol:FL2FAANI0012
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.4070 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4070 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -0.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3743 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2619 -2.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -2.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9631 -0.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0751 0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0751 2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 2.8898 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
4 7 1 0 0 0 0
7 8 1 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
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FAANI0012
KNApSAcK_ID C00008274
NAME Sophoraflavanone A
CAS_RN 87893-18-3
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES O=C(C2)c(c(OC2c(c3)ccc(c3)O)1)c(cc(O)c1CC=C(C)CCC=C(C)C)O
M END
</pre>
