Mol:FL1DGANS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.3304 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -0.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 0.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 1.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 2.1458 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 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 3 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.4995 1.2456 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 2.6003 0.6447 S SKP 8 ID FL1DGANS0001 KNApSAcK_ID C00007956 NAME 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone CAS_RN 97868-10-5 FORMULA C18H18O7 EXACTMASS 346.10525293 AVERAGEMASS 346.33132 SMILES C(c(c3O)c(c(c(c3OC)2)OCO2)O)(=O)CCc(c1)ccc(OC)c1 M END
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