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