Mol:FL2FACNI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.3900 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3714 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -0.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 -2.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1045 -0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 -2.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 1.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 -1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8338 -1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5483 -1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5483 -2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 -1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 2.5118 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 13 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FL2FACNI0017 KNApSAcK_ID C00014202 NAME Dorsmanin H;5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone CAS_RN 234766-44-0 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES C(C2)(=O)c(c(O)1)c(OC2c(c3)cc(c(c3)O)O)c(CC(O)C(C)=C)c(O)c1CC=C(C)C M END