Mol:Estrane
From Metabolomics.JP
Copyright: ARM project http://www.metabolomics.jp/ 18 21 0 0 1 0 0 0 0 0 19 V2000 24.7379 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5862 -7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5862 -8.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7379 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8898 -8.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0416 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1935 -8.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1935 -7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0416 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8898 -7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0417 -5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1935 -4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3454 -5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3454 -6.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6105 -7.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3920 -6.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6103 -5.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3487 -4.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 7 8 1 0 0 0 0 6 7 1 0 0 0 0 10 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 11 12 1 0 0 0 0 9 8 1 0 0 0 0 9 11 1 0 0 0 0 17 13 1 0 0 0 0 14 13 1 0 0 0 0 16 17 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 13 18 1 1 0 0 0 S SKP 6 AUTODRAW false ID Estrane FORMULA C18H30 EXACTMASS 246.23475095999999 AVERAGEMASS 246.4308 SMILES C(C4)CC(C3)C(C4)C(C1)C(C3)C(C2)C(C)(CC2)C1 M END
