Mol:FL63ACNS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -3.6125 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 1.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 1.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 1.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -0.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -0.3668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 -2.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -2.0650 0.0000 H 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 1 11 1 0 0 0 0 9 12 1 6 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 3 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 25 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 28 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 25 37 1 6 0 0 0 S SKP 8 ID FL63ACNS0025 KNApSAcK_ID C00008899 NAME Phylloflavan CAS_RN 98570-83-3 FORMULA C26H26O10 EXACTMASS 498.152597052 AVERAGEMASS 498.4786399999999 SMILES O(C(C(c(c4)ccc(c(O)4)O)3)Cc(c(O)2)c(O3)cc(O)c2)C(CC([H])(O)CCc(c1)cc(O)c(c1)O)=O M END