Mol:FLIAALNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6936 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 0.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1710 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 2.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5962 2.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 -2.0994 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
16 26 1 0 0 0 0
14 27 1 0 0 0 0
S SKP 8
ID FLIAALNF0005
KNApSAcK_ID C00009910
NAME Lunatone
CAS_RN 104363-13-5
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES C(c41)C(C(C)(C)O)Oc1cc(c(c42)C(C(c(c3)c(O)cc(O)c3)=CO2)=O)O
M END
