Mol:FL1C1CNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0108 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -2.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 -0.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -0.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 1.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 -0.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5831 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 -1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 -2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7266 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 2.4303 0.0000 C 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 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 11 1 0 0 0 0 14 17 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 15 31 1 0 0 0 0 S SKP 8 ID FL1C1CNI0002 KNApSAcK_ID C00014485 NAME 5,3'-Digeranyl-3,4,2',4'-tetrahydroxychalcone;Prorepensin CAS_RN 441772-63-0 FORMULA C35H44O5 EXACTMASS 544.318874518 AVERAGEMASS 544.72086 SMILES c(CC=C(C)CCC=C(C)C)(c1)c(c(O)cc1C=CC(c(c2O)ccc(O)c2CC=C(CCC=C(C)C)C)=O)O M END