Mol:FL63ACNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.6761 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 1.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 -1.1394 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 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 6 0 0 0 20 24 1 1 0 0 0 3 25 1 0 0 0 0 8 26 1 6 0 0 0 S SKP 8 ID FL63ACNP0001 KNApSAcK_ID C00008961 NAME 9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin CAS_RN 162793-68-2 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1 M END