Mol:FL1C28NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 33 0 0 0 0 0 0 0 0999 V2000 3.3915 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5041 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5041 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 -1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0359 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 -0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7593 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8596 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5041 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 19 21 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 21 28 1 0 0 0 0 14 29 1 0 0 0 0 6 30 1 0 0 0 0 13 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -6.8057 3.0204 S SKP 8 ID FL1C28NI0002 KNApSAcK_ID C00007155 NAME Homoflemingin CAS_RN 18296-15-6 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES c(c1O)(OC)cc(C(C=Cc(c2O)cc(cc2)O)=O)c(O)c1CC=C(CCC=C(C)C)C M END