Mol:Eremane
From Metabolomics.JP
Copyright: ARM project http://www.metabolomics.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 0.2338 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 0.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 1.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1587 1.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5418 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 -1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 -1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5418 -1.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 1 5 1 0 5 6 1 0 4 6 1 0 2 7 1 0 6 8 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 2 17 1 0 17 18 1 0 18 19 1 0 19 3 1 0 19 20 1 0 S SKP 6 AUTODRAW FALSE ID Eremane FORMULA C20H36 EXACTMASS 276.281701152 AVERAGEMASS 276.49984 SMILES CC(C)CCCC(C(C)(C)1)C(C3)(C2)C(C(C)C3)CC(C2)1 M END