Mol:LBF21000SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 0 0 0 0 0 0999 V2000 3.9497 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 1.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6489 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9903 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 1 0 0 0 0 4 5 1 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 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 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 22 23 1 0 0 0 0 S SKP 5 ID LBF21000SC01 FORMULA C21H42O2 EXACTMASS 326.318480588 AVERAGEMASS 326.55698 SMILES C(CCCCCCCCCCCCCCCCC(O)=O)CCC M END