Mol:FL1CHYNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 -2.2504 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 1.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 0.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3628 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9177 -0.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3628 -1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 -0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3438 -1.4764 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 20 2 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 5 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FL1CHYNI0005 KNApSAcK_ID C00007010 NAME Glyinflanin E CAS_RN 164123-51-7 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(C(C=C(O)c(c2)cc(c(O)c2)CC(O)C(C)=C)=O)(c1O)cc(c(c1)O)CC=C(C)C M END