Mol:LBF19306HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 1 0 0 0 0 0999 V2000
-2.8965 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0537 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1591 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3712 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1904 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7149 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5330 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0893 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2941 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8506 -1.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8506 0.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3921 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5671 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2366 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1904 0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0424 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8429 -0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7569 -1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 -1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3409 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2021 0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
3 16 1 0 0 0 0
4 5 1 0 0 0 0
17 5 2 0 0 0 0
6 7 1 4 0 0 0
7 8 1 0 0 0 0
9 8 1 4 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
13 3 2 0 0 0 0
2 13 1 0 0 0 0
1 14 1 0 0 0 0
2 15 1 0 0 0 0
4 16 1 0 0 0 0
6 17 1 0 0 0 0
5 18 1 0 0 0 0
4 19 1 0 0 0 0
18 20 1 0 0 0 0
20 19 1 0 0 0 0
19 21 1 0 0 0 0
18 22 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
S SKP 5
ID LBF19306HP01
FORMULA C19H30O6
EXACTMASS 354.204238692
AVERAGEMASS 354.4379
SMILES C(C2CC=CCCCCC)(O1)CC(C2=CC(OO)CCCC(O)=O)O1
M END
