Mol:FL5FADGL0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -2.5691 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 -0.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -0.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 2.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 1.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -0.4121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1983 -0.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7900 -0.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 -0.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6932 -0.4121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1014 -0.5812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9345 -0.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 -0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 -0.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -2.3162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0687 -1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5298 -1.2950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1906 -0.8213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0863 -1.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 -1.7894 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3655 -2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8075 -0.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -0.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 2.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 -2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -3.1087 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 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 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 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 40 30 1 0 0 0 0 22 41 1 0 0 0 0 41 8 1 0 0 0 0 16 42 1 0 0 0 0 42 43 1 0 0 0 0 36 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 44 45 M SBL 2 1 48 M SMT 2 CH2OH M SVB 2 48 2.3693 -1.6961 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 1.207 2.7214 S SKP 8 ID FL5FADGL0006 KNApSAcK_ID C00005543 NAME Isorhamnetin 3-galactosyl-(1->6)-glucoside CAS_RN 32472-27-8 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES O=C(c23)C(O[C@@H](C(O)4)O[C@H](CO[C@@H]([C@@H](O)5)OC(CO)[C@H](O)[C@@H]5O)[C@H](O)C4O)=C(Oc2cc(O)cc3O)c(c1)cc(OC)c(O)c1 M END
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