Mol:LBPR02020032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 35 0 0 0 0 0 0 0 0999 V2000 13.2321 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 -2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -0.0311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0000 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 -5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2321 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 1.7010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -4.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 -4.5311 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 5 32 1 0 0 0 0 9 10 1 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 33 12 2 0 0 0 0 12 34 1 0 0 0 0 2 34 1 0 0 0 0 12 13 1 0 0 0 0 3 14 1 0 0 0 0 6 15 1 0 0 0 0 16 10 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 9 24 1 4 0 0 0 22 25 1 4 0 0 0 18 26 1 4 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 5 ID LBPR02020032 FORMULA C31H52O3 EXACTMASS 472.39164553 AVERAGEMASS 472.74278000000004 SMILES C(CCCC(CCCC(C)C)C)(CCCC(C2)(C)Oc(c1C2)c(c(C)c(c(C)1)OC(C)=O)C)C M END