Mol:FL5FDBNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.6224 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6109 -0.1699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2334 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4688 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 1.0418 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 2.8596 1.4543 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 0.8016 -0.6973 S SKP 8 ID FL5FDBNF0001 KNApSAcK_ID C00005097 NAME Vellokaempferol 3,4'-dimethyl ether CAS_RN - FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES O=C(C=3OC)c(c(OC(c(c4)ccc(OC)c4)3)1)c(O)c(C2)c(OC(C(C)=C)2)c1 M END