Mol:FL2FEANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2521 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2521 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5832 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0961 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0961 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2521 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9666 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1095 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9585 -0.3137 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
2 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 -2.9666 -0.4406
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 -2.6094 0.7291
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 -2.1323 -1.0137
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 2.2521 1.4262
S SKP 8
ID FL2FEANS0003
KNApSAcK_ID C00008234
NAME 5,6,7,4'-Tetramethoxyflavanone
CAS_RN 72943-90-9
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(OC)c3)c(c1OC)OC
M END
