Mol:FL2FALNI0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.5792 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 -1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 -1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -1.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 -0.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9997 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 0.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -2.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 -0.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 -2.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 1.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 2.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 -1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 -1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5545 -1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5545 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 -1.3682 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 0 0 0 0 15 21 1 0 0 0 0 12 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL2FALNI0030 KNApSAcK_ID C00014169 NAME Kushenol V;5,7,2',4'-Tetrahydroxy-5'-methoxy-6-prenylflavanone CAS_RN 254886-75-4 FORMULA C21H22O7 EXACTMASS 386.136553058 AVERAGEMASS 386.39518 SMILES C(c(c(O)3)c(O)cc(c13)OC(c(c2)c(cc(O)c2OC)O)CC(=O)1)C=C(C)C M END