Mol:FL1CA9NP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.5305 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5305 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 -1.7183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4033 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2557 1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 1.2245 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 3 17 1 0 0 0 0 17 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 6 1 0 0 0 0 1 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 S SKP 8 ID FL1CA9NP0011 KNApSAcK_ID C00014447 NAME Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one CAS_RN 554408-31-0 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c2)c(C(=O)C=Cc(c3)cccc3)c(c1c(O)2)OC(C=C1)(C)C M END