Mol:FL3F99NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 20 0 0 0 0 0 0 0 0999 V2000
-1.9576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 1.1270 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 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
3 11 1 0 0 0 0
7 12 2 0 0 0 0
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
S SKP 8
ID FL3F99NS0003
KNApSAcK_ID C00003788
NAME Primuletin
CAS_RN 491-78-1
FORMULA C15H10O3
EXACTMASS 238.062994186
AVERAGEMASS 238.2381
SMILES Oc(c3)c(C(=O)2)c(cc3)OC(=C2)c(c1)cccc1
M END
