Mol:FL63ACNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.0589 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0589 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 -1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1194 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 -1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 0.1635 0.0000 O 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 8 17 1 1 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 1 26 1 0 0 0 0 S SKP 8 ID FL63ACNI0001 KNApSAcK_ID C00008909 NAME 6-Prenylcatechin CAS_RN 115532-13-3 FORMULA C20H22O6 EXACTMASS 358.141638436 AVERAGEMASS 358.38508 SMILES C(c(c(O)3)c(O)cc(c31)OC(c(c2)cc(c(O)c2)O)C(O)C1)C=C(C)C M END