Mol:FL3FAANI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.0036 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.8514 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 1 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 2 1 0 0 0 0 9 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 7 17 2 0 0 0 0 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 S SKP 8 ID FL3FAANI0005 KNApSAcK_ID C00013405 NAME Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 487010-53-7 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES CC(=C)C(O)Cc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)ccc(O)c3)1 M END