Mol:FLIE9CNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.7694 0.0000 C 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 1 0 0 0 0
11 16 1 0 0 0 0
8 17 1 0 0 0 0
17 9 1 0 0 0 0
17 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
3 21 1 0 0 0 0
S SKP 8
ID FLIE9CNM0001
KNApSAcK_ID C00010060
NAME 8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin
CAS_RN 115532-07-5
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES Oc(c4)c(O)cc(c43)c(C(=O)1)c(o3)c(c(C)2)c(ccc2)O1
M END
