Mol:FL5FAANI0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.8110 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1421 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3679 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 -0.5080 0.0000 C 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 18 1 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 14 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 S SKP 8 ID FL5FAANI0007 KNApSAcK_ID C00005010 NAME Isolicoflavonol;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one CAS_RN 94805-83-1 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c1C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)cc(O)c(c1)CC=C(C)C M END