Mol:FLIAALNI0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.4083 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -0.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8169 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 0.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 0.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4159 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4159 2.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -1.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -2.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -1.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 -2.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -1.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 -0.2049 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 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 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 36 M SMT 1 OCH3 M SBV 1 36 -4.8402 3.7977 S SKP 8 ID FLIAALNI0021 KNApSAcK_ID C00009942 NAME Euchrenone b4;5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone CAS_RN 121795-46-8 FORMULA C27H28O7 EXACTMASS 464.18350325 AVERAGEMASS 464.50702 SMILES C(O1)=C(c(c(OC)4)cc(c3c4)OCO3)C(c(c2O)c1c(c(O)c(CC=C(C)C)2)CC=C(C)C)=O M END