Mol:FL5FF9NI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -1.4544 0.0000 O 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 18 1 1 0 0 0 0 8 19 1 0 0 0 0 6 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 3 26 1 0 0 0 0 S SKP 8 ID FL5FF9NI0005 KNApSAcK_ID C00004992 NAME Platanetin CAS_RN 40451-44-3 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(O2)(c(C(C(=C2c(c3)cccc3)O)=O)1)c(c(c(CC=C(C)C)c1O)O)O M END