Mol:FL1C1ANI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 2.0085 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 0.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -1.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 0.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0234 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6774 -0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 1.9204 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 17 5 1 0 0 0 0 18 16 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1C1ANI0012 KNApSAcK_ID C00007073 NAME 4,2',4'-Trihydroxy-3',5'-diprenylchalcone CAS_RN 63529-05-5 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)ccc(O)c2)=O)O M END