Mol:FLIBALNS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.6966 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3421 -0.9792 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 S SKP 8 ID FLIBALNS0002 KNApSAcK_ID C00002520 NAME (+-)-Dalbergioidin CAS_RN 30368-42-4 FORMULA C15H12O6 EXACTMASS 288.063388116 AVERAGEMASS 288.25218 SMILES Oc(c3)cc(O)c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(O)c1 M END
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