Mol:FL1D1CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.2564 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1506 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -1.1015 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 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 4 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL1D1CNP0001 KNApSAcK_ID C00008019 NAME 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone CAS_RN 116207-29-5 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c1)(ccc(C(CCc(c3)c(C=2)c(c(O)c3)OC(C2)(C)CCC=C(C)C)=O)c1O)O M END