Mol:FL2FADNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -3.2028 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0166 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3673 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9973 -2.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -2.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 2.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -0.1063 0.0000 O 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 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 3 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 1 27 1 0 0 0 0 S SKP 8 ID FL2FADNP0003 KNApSAcK_ID C00014240 NAME Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone CAS_RN 183990-13-8 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c12)cc(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(C=CC(C)(C)O2)1 M END