Mol:FL63ACNN0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -0.8218 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 -0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 1.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 0.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 1.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 -1.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 -0.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 -0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 0.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 -0.6687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -2.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 2.2634 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 6 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 21 24 1 1 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 2 0 0 0 0 15 33 1 0 0 0 0 S SKP 8 ID FL63ACNN0007 KNApSAcK_ID C00008966 NAME Cinchonain Id CAS_RN 85022-67-9 FORMULA C24H20O9 EXACTMASS 452.11073223799997 AVERAGEMASS 452.4102 SMILES c(c1O)cc(C(c23)CC(=O)Oc2c(C5)c(OC(C5O)c(c4)cc(c(O)c4)O)cc3O)cc1O M END