Mol:FL3FAKNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 2.6397 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 14 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.3115 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.1618 1.1662 S SKP 8 ID FL3FAKNS0001 KNApSAcK_ID C00003915 NAME Apometzgerin;Tricetin 3',4'-dimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 76900-87-3 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c1)c(OC)c(O)cc1C(=C2)Oc(c3)c(c(O)cc(O)3)C(=O)2 M END
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