Mol:LBF18109HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 23 0 0 1 0 0 0 0 0999 V2000 -5.1807 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0555 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1039 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1571 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3322 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7058 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9433 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 23 1 4 0 0 0 2 6 1 4 0 0 0 3 6 1 4 0 0 0 1 7 1 0 0 0 0 2 10 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 1 0 0 0 0 5 16 1 0 0 0 0 11 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 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 5 23 2 0 0 0 0 S SKP 5 ID LBF18109HP01 FORMULA C18H32O5 EXACTMASS 328.224974134 AVERAGEMASS 328.44368000000003 SMILES O(C1CCCCC)C(C(OO)C=CCCCCCCCC(O)=O)1 M END