Mol:FL63PTNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.1916 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3796 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 6 0 0 0 11 1 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 2 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 10 1 0 0 0 0 16 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 18 23 1 0 0 0 0 14 24 1 0 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -6.4270 2.8623 S SKP 8 ID FL63PTNM0002 KNApSAcK_ID C00009046 NAME Elaeocyanidin CAS_RN 99257-51-9 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES c(c1)(c(c(c(C2(C)C)c1C(O4)C(Cc(c43)c(O)cc(O)c3)O2)O)OC)O M END