Mol:FL5FA9NM0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.6796 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -1.4911 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 3 19 1 0 0 0 0 6 20 1 0 0 0 0 2 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.7445 -0.6973 S SKP 8 ID FL5FA9NM0005 KNApSAcK_ID C00004882 NAME 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone CAS_RN 79174-96-2 FORMULA C18H16O5 EXACTMASS 312.099773622 AVERAGEMASS 312.31664 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3C)O)C)=O)OC)(c1)cccc1 M END