Mol:FLIAA9NIN001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -2.0139 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2466 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -0.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -0.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -0.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6732 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4267 0.0471 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 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 2 0 0 0 0 11 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 12 1 0 0 0 0 14 17 1 0 0 0 0 18 15 1 0 0 0 0 7 19 2 0 0 0 0 20 1 1 0 0 0 0 3 21 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -5.1844 5.1026 S SKP 8 ID FLIAA9NIN001 KNApSAcK_ID C00002561 NAME Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone CAS_RN 132923-36-5 FORMULA C26H29NO6 EXACTMASS 451.199487665 AVERAGEMASS 451.51159999999993 SMILES C(=C2)(c(c(CC=C(C)C)3)c(c(O)c(c3OC)N)CC=C(C)C)C(=O)c(c(O2)1)c(O)cc(O)c1 M END