Mol:FL3FFGNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.6655 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5234 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 1.2375 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 20 6 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 19 23 1 0 0 0 0 4 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 5 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 S SKP 8 ID FL3FFGNP0002 KNApSAcK_ID C00013441 NAME 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one CAS_RN 259814-41-0 FORMULA C23H22O8 EXACTMASS 426.13146768 AVERAGEMASS 426.41598000000005 SMILES C(c(c4)cc(c(c(OC)4)O)OC)(O1)=CC(=O)c(c(O)3)c(c(OC)c(c32)OC(C=C2)(C)C)1 M END
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