Mol:LBF28000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 32 0 0 1 0 0 0 0 0999 V2000 -4.5073 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3241 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4901 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 0.5823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7909 0.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -0.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5073 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9243 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 -1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 1.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 1.4073 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 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 15 17 2 0 0 0 0 18 1 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 14 31 1 4 0 0 0 12 32 1 4 0 0 0 10 33 1 4 0 0 0 S SKP 5 ID LBF28000BC01 FORMULA C31H62O2 EXACTMASS 466.47498122800005 AVERAGEMASS 466.82278 SMILES C(CCCCCCC(CC(C)CC(C)C(O)=O)C)CCCCCCCCCCCCCCC M END