Mol:FL3FADNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.6655 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 0.9815 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 14 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 21 6 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 5 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 S SKP 8 ID FL3FADNP0003 KNApSAcK_ID C00013438 NAME 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one CAS_RN 461677-63-4 FORMULA C21H18O6 EXACTMASS 366.110338308 AVERAGEMASS 366.36402 SMILES c(c1)(C(=C4)Oc(c(C(=O)4)3)cc(c2c(O)3)OC(C=C2)(C)C)cc(c(O)c1)OC M END