Mol:FL2FACNP0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.7437 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 -0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 -1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 -2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2482 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2482 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 1.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 1.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 2.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 2.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5574 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8726 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9132 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 3 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 2 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 1 1 0 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 10 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 11 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 13 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 26 32 1 0 0 0 0 S SKP 8 ID FL2FACNP0014 KNApSAcK_ID C00014261 NAME Abyssinoflavanone VI;5,7-Dihydroxy-(5''-hydroxy-6'',6''-dimethylpyrano[2'',3'':7,6])-6''',6'''-dimethyldihydropyrano[2''',3''':4',3']flavanone CAS_RN 201535-05-9 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES c(c5O)c(cc(c45)OC(CC(=O)4)c(c2)c(C1)c(c(O3)c2CCC(C)(C)3)OC(C1O)(C)C)O M END