Mol:FL5FBGGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.2325 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 -0.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -0.7515 0.0000 C 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 8 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 0 0 0 14 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 18 1 0 0 0 0 16 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 -6.7486 4.8733 S SKP 8 ID FL5FBGGS0001 KNApSAcK_ID C00005756 NAME Myricetin 5-methyl ether 3-rhamnoside CAS_RN 29028-03-3 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES OC(C1OC(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O M END
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