Mol:FL1DE9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 1.9650 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8945 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 0.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 2.0296 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -0.2364 1.1135 S SKP 8 ID FL1DE9NI0001 KNApSAcK_ID C00008011 NAME 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone CAS_RN 77129-39-6 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1 M END