Mol:FLIAACNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4092 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 2.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -2.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 6 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 21 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 22 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 13 31 1 0 0 0 0 S SKP 8 ID FLIAACNP0004 KNApSAcK_ID C00009522 NAME Auriculasin;Cudraisoflavone A CAS_RN 60297-37-2 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(=C3c(c4)cc(c(O)c4)O)Oc(c2C3=O)c(CC=C(C)C)c(c1c(O)2)OC(C=C1)(C)C M END