Mol:BMFYB8HO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 31 0 0 1 0 0 0 0 0999 V2000 17.4762 -22.7718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6481 -23.4637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5012 -24.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4762 -21.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6840 -24.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6356 -25.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6481 -20.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8390 -21.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8390 -22.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8265 -19.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0359 -23.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2330 -22.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2905 -21.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0234 -20.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2841 -19.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0110 -19.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2141 -18.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4299 -19.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4237 -20.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6393 -21.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4610 -22.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8550 -20.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8488 -19.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6393 -18.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6581 -17.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2429 -17.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8488 -16.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0770 -17.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1019 -18.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1019 -19.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2802 -17.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 2 3 1 0 0 0 S SKP 7 ID BMFYB8HO0001 NAME (3S) -2,2-Dimethyl-3- [(7E) -3,7,12,16,20-pentamethylhenicosa- 3,7,11,15,19-pentaenyl] oxirane CAS_RN 9029-62-3 FORMULA C30H50O EXACTMASS 426.386166222 AVERAGEMASS 426.7174 SMILES C(C)(=CCCC=C(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CC[C@H](O1)C1(C)C SMILES C(C)(=CCCC=C(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CC[C@H](O1)C1(C)C M END
