Mol:FL1C2ANP0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 2.9800 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1771 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4806 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6487 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 -0.7700 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 13 19 1 0 0 0 0 18 20 2 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 20 1 0 0 0 0 22 23 1 0 0 0 0 23 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 26 28 2 0 0 0 0 22 29 1 0 0 0 0 5 30 1 0 0 0 0 25 31 1 0 0 0 0 S SKP 8 ID FL1C2ANP0003 KNApSAcK_ID C00007145 NAME Flemingin F CAS_RN 50886-58-3 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c1c2O)C=CC(O1)(C)CCC(O)C(C)=C M END
</pre>