Mol:FL2FALNI0012
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.0287 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4922 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4922 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0287 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0548 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0548 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1096 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6439 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6439 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1096 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4922 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1774 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0417 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1096 -0.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0694 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5886 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1078 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5886 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6258 -0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1438 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6606 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1774 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6606 -1.3580 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
17 21 1 0 0 0 0
13 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
S SKP 8
ID FL2FALNI0012
KNApSAcK_ID C00008498
NAME Sophoraflavanone D
CAS_RN 121927-93-3
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES c(c1O)c(c(C(O3)CC(=O)c(c32)c(c(c(O)c2)CC=C(C)CCC=C(C)C)O)c(c1)O)O
M END
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