Mol:FL1CA9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 2.2885 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0855 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0855 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.9657 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 12 24 1 0 0 0 0 S SKP 8 ID FL1CA9NI0001 KNApSAcK_ID C00007078 NAME Desmethylisoxanthohumol CAS_RN 72247-78-0 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)O)C=C(C)C M END