Mol:FL5FA9NP0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.7463 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0563 -1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0563 -2.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 -1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8223 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 -2.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -0.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1612 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1612 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6348 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 -2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0638 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 11 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 9 26 1 0 0 0 0 8 27 1 0 0 0 0 27 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 10 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL5FA9NP0003 KNApSAcK_ID C00013537 NAME Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 254101-15-0 FORMULA C30H32O6 EXACTMASS 488.219888756 AVERAGEMASS 488.57148 SMILES c(CC=C(C)C)(c(O)1)c(O)c(C(=O)2)c(OC(c(c4)cc(c3c4)OC(C)(C)C=C3)=C2O)c1CC=C(C)C M END
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