Mol:FL1CA9NF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2496 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 -2.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2242 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 1.8028 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 5 18 1 0 0 0 0 17 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 S SKP 8 ID FL1CA9NF0003 KNApSAcK_ID C00014443 NAME Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone CAS_RN 260437-87-4 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(O1)c(c2O)CC1C(C)=C M END