Mol:FL1C1CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0108 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8471 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0121 1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4397 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5831 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7266 -0.6078 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 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 14 17 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 13 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 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 FL1C1CNI0001 KNApSAcK_ID C00014484 NAME 3'-Geranyl-3,4,2',4'-tetrahydroxychalcone CAS_RN 307002-70-6 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES CC(C)=CCCC(C)=CCc(c(O)1)c(c(C(=O)C=Cc(c2)cc(O)c(c2)O)cc1)O M END