Mol:FL3F1CNS0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.0021 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0021 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8619 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0650 0.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8619 0.6643 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 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 15 1 0 0 0 0
1 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 -6.6809 3.3796
S SKP 8
ID FL3F1CNS0005
KNApSAcK_ID C00003997
NAME 7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 58996-65-9
FORMULA C17H12O5
EXACTMASS 296.068473494
AVERAGEMASS 296.27418
SMILES COc(c4)cc(O1)c(c4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2
M END
</pre>
