Mol:FLIA1ANI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0105 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5666 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2016 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 0.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6925 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 4.1973 -0.8826 S SKP 8 ID FLIA1ANI0005 KNApSAcK_ID C00009844 NAME 7-Geranylformononetin;4'-Methoxy-7-geranyloxyisoflavone CAS_RN 130289-24-6 FORMULA C26H28O4 EXACTMASS 404.19875938399997 AVERAGEMASS 404.49812 SMILES C(CC=C(C)C)C(=CCOc(c1)cc(O2)c(C(=O)C(c(c3)ccc(OC)c3)=C2)c1)C M END