Mol:FLIAALNI0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.4502 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 0.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -1.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -1.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -1.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -2.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 2.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 2.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -1.8351 0.0000 O 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 1 17 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 14 31 1 0 0 0 0 S SKP 8 ID FLIAALNI0019 KNApSAcK_ID C00009940 NAME 8-Prenylluteone;5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavone CAS_RN 125002-91-7 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES O(C=2)c(c1C(=O)C(c(c3)c(cc(O)c3)O)2)c(c(c(CC=C(C)C)c1O)O)CC=C(C)C M END