Mol:FL5FADGS0012
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.6645 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 1.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 1.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2612 1.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 2.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 1.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -1.3537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1965 -1.6628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0266 -1.0684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1965 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -0.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8309 -0.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4875 -0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 -1.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 -2.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 -1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 -1.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9703 -2.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8004 -1.6252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9703 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 -0.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6047 -1.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2612 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -2.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 2.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 3.5991 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 36 28 1 0 0 0 0 16 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 46 M SMT 1 OCH3 M SVB 1 46 1.1116 2.7018 S SKP 8 ID FL5FADGS0012 KNApSAcK_ID C00005550 NAME Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside CAS_RN 121064-69-5 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES O[C@@H]([C@H]1O)C(O[C@H](OC(=C4c(c5)ccc(O)c(OC)5)C(=O)c(c3O4)c(cc(c3)O)O)[C@H]1O[C@H]([C@H]2O)OC(C)[C@H]([C@H]2O)O)C M END
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