Mol:FL3F1LNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -3.0489 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4926 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 0.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 -0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 1.4505 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 1 18 1 0 0 0 0 19 15 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL3F1LNI0001 KNApSAcK_ID C00004018 NAME Rubraflavone A CAS_RN 54510-13-3 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(=C(C)CCC=C(C)C)CC(C(=O)2)=C(Oc(c3)c(ccc(O)3)2)c(c1O)ccc(O)c1 M END
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