Mol:FL1CRTNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -3.4988 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 0.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 1.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6746 0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4553 -0.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 0.5757 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 1 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 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 12 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FL1CRTNP0003 KNApSAcK_ID C00014469 NAME Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone CAS_RN 325144-67-0 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c12)c(C=CC(=O)c(c3)ccc(O)c3)ccc1OC(C=C2)(C)C M END