Mol:FL1CACNN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 1.3653 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9902 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9902 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5427 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3084 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9859 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9859 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -1.2739 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 13 1 0 0 0 0 20 23 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 24 22 1 0 0 0 0 5 30 1 0 0 0 0 4 31 1 0 0 0 0 S SKP 8 ID FL1CACNN0001 KNApSAcK_ID C00007164 NAME 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin CAS_RN 73536-05-7 FORMULA C24H18O7 EXACTMASS 418.10525293 AVERAGEMASS 418.39552000000003 SMILES O=C(C3)Oc(c(C(c(c4)cccc4)3)2)c(c(cc2O)O)C(C=Cc(c1)cc(O)c(c1)O)=O M END