Mol:LBPR01070223
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-5.4662 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0195 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1262 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4029 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3205 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0438 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4904 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9371 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 -0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3837 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7671 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6604 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4662 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3837 1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1806 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1806 -0.0044 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 7 2 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 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 16 1 0 0 0 0
2 17 1 0 0 0 0
6 18 1 0 0 0 0
11 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 2 0 0 0 0
16 22 2 0 0 0 0
1 23 1 0 0 0 0
16 24 1 0 0 0 0
S SKP 5
ID LBPR01070223
FORMULA C20H24O4
EXACTMASS 328.167459256
AVERAGEMASS 328.40216
SMILES CC(=CC=CC(=CC=CC=C(C=CC=C(C)C(O)=O)C)C)C(O)=O
M END
