Mol:FLIA1LNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3758 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0273 -2.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3183 2.3100 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -2.8184 1.4439
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 2.1039 0.2048
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -0.3943 -0.7557
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 1.7467 -1.0314
S SKP 8
ID FLIA1LNS0011
KNApSAcK_ID C00009417
NAME 7,2',4',5'-Tetramethoxyisoflavone
CAS_RN 4253-02-5
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c(OC)1)(OC)cc(c(C(C3=O)=COc(c32)cc(OC)cc2)c1)OC
M END
