Mol:FLIDHYNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 27 0 0 0 0 0 0 0 0999 V2000 -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 0.7116 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 26 M SMT 1 OCH3 M SBV 1 26 -5.5987 4.5685 S SKP 8 ID FLIDHYNS0004 KNApSAcK_ID C00010011 NAME Sophoracarpan B;6-Methoxymaackiain;(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan CAS_RN 104700-88-1 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COC(O1)C(c43)C(Oc(cc(O5)c(OC5)c4)3)c(c2)c(cc(O)c2)1 M END