Mol:FLIA3LNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.5813 0.0000 O 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
S SKP 8
ID FLIA3LNS0003
KNApSAcK_ID C00009853
NAME 7,8,2',4'-Tetrahydroxyisoflavone
CAS_RN 14756-61-7
FORMULA C15H10O6
EXACTMASS 286.047738052
AVERAGEMASS 286.2363
SMILES Oc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1
M END
