Mol:FLIA3CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 27 0 0 0 0 0 0 0 0999 V2000
-2.0019 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2233 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2233 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7794 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7794 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9689 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9689 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4793 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5169 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4793 -1.2495 0.0000 O 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
S SKP 8
ID FLIA3CNS0001
KNApSAcK_ID C00009403
NAME Maximaisoflavone A
CAS_RN 59092-90-9
FORMULA C17H10O6
EXACTMASS 310.047738052
AVERAGEMASS 310.2577
SMILES O=C(C=3c(c4)cc(O5)c(OC5)c4)c(c1)c(OC3)c(O2)c(OC2)c1
M END
