Mol:FL5FF9NI0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 1.4289 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 0.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 0.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 1.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 2.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 3.0663 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 13 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 S SKP 8 ID FL5FF9NI0006 KNApSAcK_ID C00013547 NAME 5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate);(2E)-5,7-Dihydroxy-3-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid CAS_RN 221231-14-7 FORMULA C21H18O7 EXACTMASS 382.10525293 AVERAGEMASS 382.36342 SMILES COC(C3=O)=C(Oc(c23)c(OC(=O)C(C)=CC)c(O)cc2O)c(c1)cccc1 M END
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