Mol:FLIA4CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.9669 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6961 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0040 -0.8085 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
8 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
6 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 2.2409 -1.0148
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 SVB 2 26 0.9918 -1.3234
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 SVB 1 24 -1.1326 1.7359
S SKP 8
ID FLIA4CNS0002
KNApSAcK_ID C00009425
NAME 8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 61243-77-4
FORMULA C19H16O7
EXACTMASS 356.089602866
AVERAGEMASS 356.32614
SMILES c(c34)c(C1=O)c(c(c3OCO4)OC)OC=C(c(c2)cc(OC)c(OC)c2)1
M END
