Mol:FL2FEANS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.1040 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0925 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0925 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2697 -1.4198 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 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
3 23 1 0 0 0 0
23 24 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 -8.2362 4.1152
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -9.2394 3.6275
S SKP 8
ID FL2FEANS0006
KNApSAcK_ID C00008258
NAME 5,4'-Dimethoxy-6,7-methylenedioxyflavanone
CAS_RN 105801-21-6
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC
M END
