Mol:LBPR02020020
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 13.2321 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -4.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -0.7811 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0981 -4.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -5.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 29 1 0 0 0 0 5 29 1 0 0 0 0 2 30 1 0 0 0 0 1 10 1 0 0 0 0 6 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 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 2 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 2 0 0 0 0 23 24 1 0 0 0 0 9 25 1 4 0 0 0 15 26 1 0 0 0 0 19 27 1 0 0 0 0 23 28 1 0 0 0 0 S SKP 5 ID LBPR02020020 FORMULA C28H42O2 EXACTMASS 410.318480588 AVERAGEMASS 410.63188 SMILES C(C(=CCCC(O1)(C)CCc(c2)c1c(c(C)c(O)2)C)C)CC=C(CCC=C(C)C)C M END
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