Mol:FL1C1ANI0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -1.5955 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 0.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 -0.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5613 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5613 -1.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2321 -1.7105 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 4 7 1 0 0 0 0 6 8 1 0 0 0 0 1 9 1 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 3 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 11 30 1 0 0 0 0 S SKP 8 ID FL1C1ANI0020 KNApSAcK_ID C00011136 NAME Bartericin D CAS_RN 851771-46-5 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(O)(Cc(c1O)cc(C=CC(=O)c(c(O)2)cc(c(O)c2)CC=C(C)C)cc1)C(C)=C M END