Mol:FL2FACNI0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.9729 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4776 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4918 -0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 -0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8971 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 -0.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3027 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0345 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 -2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -2.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 1.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 1.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 1.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6922 -0.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9778 2.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9778 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 1.2729 0.0000 C 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 4 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 5 1 0 0 0 0 9 11 1 6 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 6 22 1 0 0 0 0 22 21 1 0 0 0 0 21 23 2 0 0 0 0 13 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 S SKP 8 ID FL2FACNI0018 KNApSAcK_ID C00014205 NAME Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone CAS_RN 180318-50-7 FORMULA C22H22O8 EXACTMASS 414.13146768 AVERAGEMASS 414.40528000000006 SMILES C(=O)(C2)c(c(OC2c(c3)ccc(c3O)O)1)c(cc(O)c(CC=C(COC(C)=O)C)1)O M END