Mol:FL3FACNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.0717 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.8562 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 1 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 2 1 0 0 0 0 9 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 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 13 21 1 0 0 0 0 15 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 3 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 S SKP 8 ID FL3FACNI0004 KNApSAcK_ID C00013420 NAME Epimedokoreanin B;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 161068-53-7 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(=C(C)C)Cc(c1)c(c(O)cc1C(=C3)Oc(c(C(=O)3)2)c(c(O)cc2O)CC=C(C)C)O M END