Mol:FLIAE8NS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.9023 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
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
16 22 1 0 0 0 0
S SKP 8
ID FLIAE8NS0006
KNApSAcK_ID C00009856
NAME Irisone B;5,2'-Dihydroxy-6,7-methylenedioxyisoflavone
CAS_RN 97359-75-6
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)c(ccc4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1
M END
