Mol:FL7AACGA0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.5717 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 2.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 2.3491 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0627 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 1.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 3.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 3.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 2.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 2.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 -0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 -0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 -0.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 -2.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 -3.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 -2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 -2.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 -2.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2524 -2.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -3.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -2.9051 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 13 21 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 27 1 0 0 0 0 27 22 1 0 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 25 18 1 0 0 0 0 32 28 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 31 1 0 0 0 0 S SKP 8 ID FL7AACGA0014 KNApSAcK_ID C00014758 NAME Cyanidin 3-(2-glucosylgalactoside) CAS_RN 220726-09-0 FORMULA C27H31O16 EXACTMASS 611.161209944 AVERAGEMASS 611.52544 SMILES Oc(c(O)1)ccc(c(c(OC(O4)C(OC(C5O)OC(C(C5O)O)CO)C(C(C4CO)O)O)3)[o+1]c(c2c3)cc(O)cc2O)c1 M END