Mol:FL1C1ANI0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -6.2648 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2648 0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5503 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8358 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5503 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9793 2.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1214 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6924 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6924 -0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 0.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -2.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 -1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 0.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 -0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 -0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 -1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 -0.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -0.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9793 -2.0671 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 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 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 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 S SKP 8 ID FL1C1ANI0027 KNApSAcK_ID C00014452 NAME Gemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone CAS_RN 189031-26-3 FORMULA C29H26O7 EXACTMASS 486.167853186 AVERAGEMASS 486.51253999999994 SMILES c(c2C(=O)C=Cc(c3)ccc(O)c3)(O)c(c(O)cc2)CC=C(C)COC(=O)C=Cc(c1)ccc(c1)O M END