Mol:LBF20307PG33
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 25 0 0 0 0 0 0 0 0999 V2000 9.0858 3.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7768 2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5858 1.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3948 2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0858 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4518 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4518 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 1.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 13 14 1 0 0 0 0 2 7 1 1 0 0 0 6 15 1 0 0 0 0 15 16 2 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 4 21 1 6 0 0 0 3 6 1 1 0 0 0 9 22 2 0 0 0 0 1 23 1 6 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 S SKP 5 ID LBF20307PG33 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CCC(=O)C=C[C@H]([C@@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC M END