Mol:FL1C1ANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -2.2659 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 -0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5009 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 1.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 -1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 -1.9226 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 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 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 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 4 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 S SKP 8 ID FL1C1ANI0024 KNApSAcK_ID C00011141 NAME Bartericin A CAS_RN 681214-24-4 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(c(c(O)1)cc(CC(O)C(C)=C)c(c1)O)=O M END