Mol:FL5FEGNS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.9669 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9554 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8471 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6648 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1063 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1243 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 -1.8137 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
8 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 0.4686 -0.9987
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 1.6648 1.7079
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8471 -1.2954
S SKP 8
ID FL5FEGNS0018
KNApSAcK_ID C00005068
NAME 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
CAS_RN 132185-75-2
FORMULA C20H16O9
EXACTMASS 400.07943210999997
AVERAGEMASS 400.33564
SMILES COc(c54)cc(cc(OCO5)4)C(O1)=C(C(c(c(OC)2)c1cc(O3)c(OC3)2)=O)OC
M END
