Mol:FLIC1LNP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.9490 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 0.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2381 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 -1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 1 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 12 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 S SKP 8 ID FLIC1LNP0006 KNApSAcK_ID C00009728 NAME Leiocin CAS_RN 66446-88-6 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(O5)(c1)c(OC5)cc(c(C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)1)O M END