Mol:FL63ACNN0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.6761 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -0.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 -0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 0.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 1.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 1.9364 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 6 0 0 0 13 25 1 0 0 0 0 19 26 1 1 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 S SKP 8 ID FL63ACNN0003 KNApSAcK_ID C00008962 NAME 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one CAS_RN 155050-41-2 FORMULA C24H20O8 EXACTMASS 436.11581761599996 AVERAGEMASS 436.4108 SMILES c(c5)c(ccc5O)C(c41)CC(=O)Oc(cc(O)c(c34)CC(C(O3)c(c2)cc(c(O)c2)O)O)1 M END