Mol:FL1C9AGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -3.0533 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 1.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 0.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6999 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -0.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 -1.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 -0.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 -1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 -0.9636 0.0000 O 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 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 13 17 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 17 1 0 0 0 0 3 29 1 0 0 0 0 2 30 1 0 0 0 0 S SKP 8 ID FL1C9AGS0002 KNApSAcK_ID C00014494 NAME 4,2',3'-Trihydroxychalcone 4-O-glucoside CAS_RN 158500-60-8 FORMULA C21H22O9 EXACTMASS 418.126382302 AVERAGEMASS 418.39398 SMILES C(Oc(c2)ccc(C=CC(=O)c(c3O)cccc(O)3)c2)(O1)C(O)C(O)C(O)C1CO M END
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