Mol:FL1ABCNM0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.2456 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6754 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 -0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -1.1006 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 5 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 24 M SMT 1 OCH3 M SBV 1 24 -5.9864 5.0154 S SKP 8 ID FL1ABCNM0001 KNApSAcK_ID C00008032 NAME 6,3',4'-Trihydroxy-4-methoxy-5-methylaurone CAS_RN 171204-57-2 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c(C)3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1 M END
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