Mol:FL3FA9CS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 1.7773 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 -0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4918 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 -1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3092 -2.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2105 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6108 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 2.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 2.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 2.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 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 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 14 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 17 31 1 0 0 0 0 13 23 1 0 0 0 0 S SKP 8 ID FL3FA9CS0006 KNApSAcK_ID C00014013 NAME Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 329229-05-2 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES OC(C1O)C(O)C(c(c32)c(cc(O)c(C(C=C(c(c4)cccc4)O3)=O)2)OC)OC1CO M END