Mol:FLIAALNP0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -1.4077 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3736 -1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -0.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 -1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 -1.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 1.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 1.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1112 -2.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -1.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 0.0833 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 3 18 1 0 0 0 0 2 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 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 14 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -4.4683 5.3027 S SKP 8 ID FLIAALNP0018 KNApSAcK_ID C00009947 NAME Euchrenone b3;5-Hydroxy-2'-methoxy-4',5'-methylenedioxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone CAS_RN 119061-11-9 FORMULA C27H26O7 EXACTMASS 462.167853186 AVERAGEMASS 462.49114 SMILES C(=C3c(c(OC)5)cc(c4c5)OCO4)Oc(c12)c(C3=O)c(O)c(c(OC(C)(C)C=C2)1)CC=C(C)C M END