Mol:FL3FAAGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.1776 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2731 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3045 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 1.6710 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 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 24 18 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL3FAAGS0041 KNApSAcK_ID C00004177 NAME Apigenin 7-(6''-acetylglucoside) CAS_RN 72741-92-5 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)OC(COC(C)=O)C1O M END