Mol:FL7AEGGL0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.5273 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 1.0573 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1071 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 2.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 1.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 2.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -0.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 0.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 0.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5622 -2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 -1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 -3.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 -2.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -0.5692 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 29 1 0 0 0 0 2 34 1 0 0 0 0 S SKP 8 ID FL7AEGGL0003 KNApSAcK_ID C00014824 NAME 6-Hydroxydelphinidin 3-glucoside CAS_RN 478693-91-3 FORMULA C21H21O13 EXACTMASS 481.09821575800004 AVERAGEMASS 481.38364 SMILES C(C1Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO M END
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