Mol:FL2FACNI0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -3.4832 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 0.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 2.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 0.2882 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 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 12 26 1 0 0 0 0 26 22 1 0 0 0 0 15 27 1 0 0 0 0 21 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FACNI0013 KNApSAcK_ID C00014176 NAME Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone CAS_RN 183990-15-0 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c3O)c(cc(c32)OC(CC2=O)c(c1)c(c(CC=C(C)C)c(O)c(O)1)CC=C(C)C)O M END
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