Mol:FL5FACND0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.4625 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 -0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 -1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -2.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4852 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -0.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 1.6698 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 8 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 9 1 0 0 0 0 21 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 17 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 S SKP 8 ID FL5FACND0001 KNApSAcK_ID C00013536 NAME Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one CAS_RN 370563-80-7 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES C(C(C)5)(c(c4O5)c(c3c(O)c4)OC(=C(C(=O)3)O)c(c2)cc(c(c2O)1)C=CC(O1)(C)C)(C)C M END
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