Mol:FL1CA9NP0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.1647 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 2.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 1.0798 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 23 1 0 0 0 0 23 1 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 S SKP 8 ID FL1CA9NP0010 KNApSAcK_ID C00014445 NAME 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone CAS_RN 554408-29-6 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C)(C)C(O)C1 M END