Mol:FL3FAAGS0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.8282 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8282 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 -1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 -1.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 0.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 -1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 1.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 1.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 0.4319 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 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 20 22 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -6.2200 3.6608 S SKP 8 ID FL3FAAGS0014 KNApSAcK_ID C00004149 NAME Apigenin 4'-glucoside CAS_RN 20486-34-4 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c1C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 M END
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