Mol:FL1C1ANN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -0.4417 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 0.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 0.2966 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 4 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 5 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 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 22 1 0 0 0 0 25 28 1 0 0 0 0 S SKP 8 ID FL1C1ANN0002 KNApSAcK_ID C00007166 NAME Lophirone E CAS_RN 122127-72-4 FORMULA C23H16O5 EXACTMASS 372.099773622 AVERAGEMASS 372.37014000000005 SMILES c(C=CC(c(c(O)4)ccc(O)c4)=O)(c3)ccc(c31)oc(c(c2)ccc(c2)O)c1 M END