Mol:FLIAECNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3616 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3616 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4197 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4197 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 -0.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2035 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2035 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 -0.1966 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -5.5377 5.7787
S SKP 8
ID FLIAECNS0008
KNApSAcK_ID C00009827
NAME 5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone
CAS_RN 94390-23-5
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)cc(cc3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(O)1
M END
