Mol:FLIAEANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.4344 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8945 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3602 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8945 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3602 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 -0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9826 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9345 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2916 -0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
11 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 12 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
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FLIAEANS0001
KNApSAcK_ID C00002539
NAME Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone
CAS_RN 41653-81-0
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)ccc(c4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1
M END
