Mol:FL3F1ANP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.6167 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 -1.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 0.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 1.5551 0.0000 C 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 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 15 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FL3F1ANP0001 KNApSAcK_ID C00004092 NAME Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 155233-21-9 FORMULA C25H24O4 EXACTMASS 388.167459256 AVERAGEMASS 388.45565999999997 SMILES c(c4)(CC=C(C)C)c(cc(c43)OC(=CC3=O)c(c1)cc(C=2)c(OC(C2)(C)C)c1)O M END
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