Mol:FLIA2ANS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9253 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8127 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3690 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4814 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 -0.1272 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
1 11 1 0 0 0 0
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
7 18 2 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 ^OCH3
M SBV 1 22 -6.5544 3.3408
S SKP 8
ID FLIA2ANS0005
KNApSAcK_ID C00009392
NAME Glycitein;7,4'-Dihydroxy-6-methoxyisoflavone
CAS_RN 40957-83-3
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c(O)3)cc(c2c3)C(=O)C(=CO2)c(c1)ccc(O)c1
M END
