Mol:FL1C1AND0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.7846 -0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 -0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 0.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 -0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 0.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 1.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2166 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -0.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8832 -0.6569 0.0000 O 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 6 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 16 19 2 0 0 0 0 18 8 1 0 0 0 0 10 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 11 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1C1AND0001 KNApSAcK_ID C00011143 NAME Bartericin C CAS_RN 681214-25-5 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(c(c3)ccc(O4)c3CCC4(C)C)=CC(c(c1O)cc(C2)c(OC(C(C)(C)O)2)c1)=O M END