Mol:FL63ACNN0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.6761 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -0.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 0.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -2.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -1.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -0.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 1.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 2.2613 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 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 21 22 2 0 0 0 0 3 23 1 0 0 0 0 8 24 1 1 0 0 0 13 25 1 0 0 0 0 19 26 1 6 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 S SKP 8 ID FL63ACNN0004 KNApSAcK_ID C00008963 NAME 9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one CAS_RN 88903-73-5 FORMULA C24H20O9 EXACTMASS 452.11073223799997 AVERAGEMASS 452.4102 SMILES c(c35)(CC(C(O5)c(c4)cc(c(O)c4)O)O)c(O)cc(c13)OC(=O)CC(c(c2)ccc(c2O)O)1 M END