Mol:FL5FDCNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.1318 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 -1.8182 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 3 18 1 0 0 0 0 15 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 1 25 1 0 0 0 0 16 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 1.3037 -1.0033 S SKP 8 ID FL5FDCNI0002 KNApSAcK_ID C00005015 NAME 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone CAS_RN 151649-34-2 FORMULA C21H20O7 EXACTMASS 384.120902994 AVERAGEMASS 384.37929999999994 SMILES C(c(c1O)c(O)cc(O2)c1C(C(=C2c(c3)cc(c(O)c3)O)OC)=O)C=C(C)C M END
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