Mol:FL1C19NI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 29 0 0 0 0 0 0 0 0999 V2000 -1.0457 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4137 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 -0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4137 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 1.9267 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 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 17 3 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 2 19 1 0 0 0 0 1 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL1C19NI0004 KNApSAcK_ID C00007054 NAME Spinochalcone A CAS_RN 52601-08-8 FORMULA C25H28O3 EXACTMASS 376.203844762 AVERAGEMASS 376.48802 SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(C=Cc(c2)cccc2)=O)O M END
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