Mol:FL1CALGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -2.0372 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 0.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -1.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -2.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 -1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2917 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3272 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8846 -2.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -2.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3721 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 2.6988 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 13 29 1 0 0 0 0 30 23 1 0 0 0 0 28 31 1 0 0 0 0 5 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 15 35 1 0 0 0 0 35 36 1 0 0 0 0 20 27 1 0 0 0 0 S SKP 8 ID FL1CALGS0001 KNApSAcK_ID C00014515 NAME 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside CAS_RN 256413-65-7 FORMULA C25H30O11 EXACTMASS 506.178811802 AVERAGEMASS 506.4991 SMILES c(c3)c(c(OC)cc3OC)C=CC(c(c(OC(C2O)OC(CO)C(O)C2O)1)c(OC)cc(OC)c1)=O M END