Mol:FL2FACNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 40 0 0 0 0 0 0 0 0999 V2000 -1.9031 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9031 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 0.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 1.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 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 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 20 15 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 2 0 0 0 0 14 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 20 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 18 30 1 0 0 0 0 30 24 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 22 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 S SKP 8 ID FL2FACNP0005 KNApSAcK_ID C00008473 NAME Amorin CAS_RN 119347-09-0 FORMULA C30H32O6 EXACTMASS 488.219888756 AVERAGEMASS 488.57148 SMILES c(C=1)(c2)c(c(O)cc2C(O3)CC(=O)c(c4O)c(c(CC=C(C)C)c(O5)c(C=CC5(C)C)4)3)OC(C)(C)C1 M END