Mol:FLIBALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.6566 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 1.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 0.9179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2065 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 -0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 0.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -1.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0692 -1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 0.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 -0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 -0.8891 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 1 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 17 1 1 0 0 0 0 7 18 2 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 15 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 8 26 1 4 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -0.0422 0.2548 S SKP 8 ID FLIBALNI0002 KNApSAcK_ID C00002573 NAME Sophoraisoflavanone A CAS_RN 69573-59-7 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES C(c(c1OC)c(ccc1C([H])(C3)C(=O)c(c2O3)c(cc(O)c2)O)O)C=C(C)C M END