Mol:FL3FADNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.1300 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 2.5017 1.7424 S SKP 8 ID FL3FADNI0002 KNApSAcK_ID C00004036 NAME Cannflavin B;6-Prenylchrysoeriol;Canniflavone;Canniflavone 1;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 76735-58-5 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES c(c1)(C(=C3)Oc(c2)c(C(=O)3)c(c(CC=C(C)C)c(O)2)O)cc(c(O)c1)OC M END
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