Mol:FL3F19NF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -1.6788 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 -0.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 1.2593 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 2 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -6.9600 8.2887 S SKP 8 ID FL3F19NF0001 KNApSAcK_ID C00004049 NAME Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one CAS_RN 114687-96-6 FORMULA C18H12O4 EXACTMASS 292.073558872 AVERAGEMASS 292.28548 SMILES C(c13)(=O)C=C(c(c4)cc(OC)cc4)Oc1cc(c2c3)occ2 M END