Mol:FLICUNNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -1.4912 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7340 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7340 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6568 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 2.3435 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 7 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -0.6568 1.4439 S SKP 8 ID FLICUNNS0002 KNApSAcK_ID C00010039 NAME Lapathinol;5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol CAS_RN 129724-39-6 FORMULA C17H16O6 EXACTMASS 316.094688244 AVERAGEMASS 316.30534 SMILES COc(c21)c(O4)c(C(O)C(C4)c(c3)cccc3)c(O)c(OCO2)1 M END
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