Mol:FLNA29NS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.1438 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1436 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0983 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0983 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 1.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 2.6461 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 7 17 2 0 0 0 0 9 18 1 0 0 0 0 15 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.501 1.78 S SKP 8 ID FLNA29NS0005 KNApSAcK_ID C00010199 NAME Stevenin CAS_RN 36286-69-8 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)cc(O)cc1 M END
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