Mol:LBF20406HX02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 0 0 0 0 0 0999 V2000 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6962 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6962 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 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 5 6 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 21 1 4 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 1 0 0 0 0 19 20 1 0 0 0 0 12 22 1 1 0 0 0 11 22 1 1 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 S SKP 5 ID LBF20406HX02 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CC[C@@H]([C@@H](C(O)C=CCC=CCCCC(O)=O)1)O1)CCC M END