Mol:FL1CA9NF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.2004 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6575 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5154 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5154 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9122 0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2128 2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8134 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1133 -2.9766 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 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 5 17 1 0 0 0 0 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 3 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1CA9NF0002 KNApSAcK_ID C00014442 NAME Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone CAS_RN 554408-33-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES Oc(c(CC=C(C)C)2)c(C(=O)C=Cc(c3)cccc3)c(O1)c(c2O)CC1C(C)(C)O M END