Mol:FL2FA9NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -0.1679 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3947 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 -0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5047 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 18 6 1 0 0 0 0 2 19 1 0 0 0 0 20 21 2 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 24 25 2 0 0 0 0 25 20 1 0 0 0 0 18 23 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 4 0 0 0 S SKP 8 ID FL2FA9NS0005 KNApSAcK_ID C00008401 NAME Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether CAS_RN 108544-83-8 FORMULA C23H20O5 EXACTMASS 376.13107375 AVERAGEMASS 376.4019 SMILES c(c2O)c(cc(O3)c2C(CC3c(c4)cccc4)=O)Oc(c1)ccc(c1)C(C)O M END