Mol:LBF26117SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 27 0 0 0 0 0 0 0 0999 V2000 2.4069 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 1.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8621 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 -0.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 -1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9047 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 -0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3307 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9604 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9074 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 -0.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 -1.1749 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 2 4 2 0 0 0 0 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 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 14 15 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 27 28 1 0 0 0 0 S SKP 5 ID LBF26117SC01 FORMULA C26H50O2 EXACTMASS 394.381080844 AVERAGEMASS 394.674 SMILES C(CCC)CCCCCCCCCCCCC=CCCCCCCCC(O)=O M END