Mol:LBF18109SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.4633 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0765 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7915 -0.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0765 0.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9508 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2990 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6363 -0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3658 -0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7152 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1601 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7417 -0.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3701 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9531 -0.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1631 -0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7915 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3066 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5042 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
1 10 1 0 0 0 0
5 10 1 0 0 0 0
12 11 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
9 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 11 1 0 0 0 0
S SKP 5
ID LBF18109SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCCC=CCCCCCCCC(O)=O
M END
