Mol:FL5FFANM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.7597 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8543 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9753 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 1.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 10 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 9 23 1 0 0 0 0 11 24 1 0 0 0 0 23 25 1 0 0 0 0 20 26 1 0 0 0 0 S SKP 8 ID FL5FFANM0002 KNApSAcK_ID C00013508 NAME 5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one CAS_RN 194157-52-3 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3C)OC)OC)=O)OC)(c1)ccc(O)c1 M END