Mol:FL5FAHGA0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0380 -5.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -5.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -3.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -4.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 -4.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 -3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -2.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 -2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6441 -3.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -3.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8371 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 -1.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 -1.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9027 -2.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 -5.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 -2.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -0.7568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7007 -1.4282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4461 -1.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 -1.4282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5838 -0.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8383 -0.9698 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3612 -0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -0.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -0.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 -4.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 -1.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 -1.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -1.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -1.6150 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 14 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 16 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 2.6721 -1.4112 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 1 37 M SMT 1 OCH3 M SVB 1 37 0.8012 1.8237 S SKP 8 ID FL5FAHGA0001 KNApSAcK_ID C00005760 NAME Laricitrin 3-galactoside CAS_RN 71393-05-0 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(OC)c(O)c(O)3)=C1O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O M END
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