Mol:LBF20406HO18
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -3.2663 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1254 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 1.2375 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 2 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 9 14 2 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 7 20 1 1 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF20406HO18 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC M END