Mol:FL4DAANC0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.8086 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 -0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 -0.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2071 1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -1.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -1.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 0.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 11 1 0 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 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 8 21 1 0 0 0 0 15 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 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 23 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL4DAANC0004 KNApSAcK_ID C00014401 NAME Hypnum acid;3,5,7,4'-Tetrahydroxyflavanone 3'-(4-hydroxybenzoic acid) CAS_RN 156250-63-4 FORMULA C22H16O9 EXACTMASS 424.07943210999997 AVERAGEMASS 424.35704000000004 SMILES c(c1O)cc(cc(c(c(O)4)cc(cc4)C(C2O)Oc(c3)c(c(O)cc3O)C2=O)1)C(O)=O M END