Mol:FLIE1ANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 23 0 0 0 0 0 0 0 0999 V2000
-1.5484 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5484 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0480 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0480 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0731 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6478 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8828 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4575 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7628 1.2834 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 13 1 0 0 0 0
15 18 1 0 0 0 0
19 1 1 0 0 0 0
9 20 2 0 0 0 0
S SKP 8
ID FLIE1ANS0001
KNApSAcK_ID C00002514
NAME Coumestrol;Cumestrol;3,9-Dihydroxycoumestan
CAS_RN 479-13-0
FORMULA C15H8O5
EXACTMASS 268.037173366
AVERAGEMASS 268.22102
SMILES Oc(c4)cc(O3)c(c4)c(o1)c(C(=O)3)c(c2)c(cc(O)c2)1
M END
