Mol:Enterocin
From Metabolomics.JP
(Difference between revisions)
m (moved Mol:Enterocin.Mol to Mol:Enterocin) |
Revision as of 16:22, 5 January 2012
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 1.0828 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5117 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5117 1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7973 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 2.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7714 -0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3065 1.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 0.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 1.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 1.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 -1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 -2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -2.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 10 1 0 8 14 1 0 8 16 1 0 16 12 1 0 16 17 1 0 14 18 1 0 12 19 1 0 16 20 1 0 20 21 2 0 20 22 1 0 22 10 1 0 15 23 1 0 13 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 24 1 0 28 30 2 0 26 31 1 0 31 32 1 0 S SKP 8 ID Enterocin.Mol KNApSAcK_ID C00018081 NAME Enterocin CAS_RN 59678-46-5 FORMULA C22H20O10 EXACTMASS 444.10564686 AVERAGEMASS 444.3882 SMILES COC(=C5)C=C(OC(=O)5)C(C(O)41)C(O)(C3)C(O)(C(=O)OC3C(O)4)C(C(=O)c(c2)cccc2)1 M END