Mol:FLNAA9NF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.6287 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 0.3828 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 10 18 1 0 0 0 0 19 20 1 0 0 0 0 20 9 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 1 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 19 30 1 0 0 0 0 S SKP 8 ID FLNAA9NF0003 KNApSAcK_ID C00010226 NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one CAS_RN 54947-83-0 FORMULA C24H24O6 EXACTMASS 408.1572885 AVERAGEMASS 408.44376 SMILES C(C(c(c(O)4)c(c(c(c42)OC(=O)C=C2c(c3)cccc3)1)OC(C(C)(C)O)C1)=O)(C)C M END