Mol:FLIAECNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.9657 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9657 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 0.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2968 -1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 -1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0620 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 -0.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0620 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6802 -0.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6721 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4094 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 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
6 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 21 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
3 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -1.8459 -0.9214
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.6802 -0.3483
S SKP 8
ID FLIAECNP0001
KNApSAcK_ID C00009913
NAME 5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
CAS_RN 124596-67-4
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES CC(C)(O5)C=Cc(c51)c(O2)c(C(=O)C(c(c4)cc(O3)c(c4)OC3)=C2)c(OC)c1OC
M END
