Mol:FL3FFCNS0007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1487 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.7079 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
16 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 26 27
M SBL 5 1 28
M SMT 5 OCH3
M SVB 5 28 -2.2998 -1.2954
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -1.5853 0.7229
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 2.0624 1.1317
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.7769 0.4474
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 1.212 1.7079
S SKP 8
ID FL3FFCNS0007
KNApSAcK_ID C00003912
NAME Isosinensetin;6-Demethoxynobiletin;5,7,8,3',4'-Pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 17290-70-9
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(c31)(C(=O)C=C(O3)c(c2)cc(c(c2)OC)OC)c(cc(c1OC)OC)OC
M END
</pre>
