Mol:FL1CHXNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 0.6379 0.0000 O 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 8 21 1 0 0 0 0 S SKP 8 ID FL1CHXNS0001 KNApSAcK_ID C00006978 NAME 3,4,2',4',alpha-Pentahydroxychalcone CAS_RN 38681-20-8 FORMULA C15H12O6 EXACTMASS 288.063388116 AVERAGEMASS 288.25218 SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)=Cc(c1)cc(O)c(O)c1 M END
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