Mol:FL5FGCNS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.9669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5779 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5923 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9554 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1243 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8471 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 1.9107 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
8 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
6 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 -1.1326 1.011
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 -1.8471 -1.0073
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 0.4686 -0.7106
S SKP 8
ID FL5FGCNS0025
KNApSAcK_ID C00005067
NAME 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS_RN 80370-39-4
FORMULA C20H16O9
EXACTMASS 400.07943210999997
AVERAGEMASS 400.33564
SMILES O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1
M END
