Mol:FL7AACGA0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.5717 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 1.5848 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0627 1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 1.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 2.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 -0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 -0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 -2.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 -2.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -1.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 -2.1450 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 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 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 29 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL7AACGA0015 KNApSAcK_ID C00014759 NAME Cyanidin 3-(6-acetylgalactoside) CAS_RN 481655-63-4 FORMULA C23H23O12 EXACTMASS 491.1189512 AVERAGEMASS 491.42152 SMILES C(C(O1)C(C(C(O)C1Oc(c3c(c4)ccc(c4O)O)cc(c(O)2)c([o+1]3)cc(O)c2)O)O)OC(C)=O M END