Mol:FL2F19NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -0.5674 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5674 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3479 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 9 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 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 S SKP 8 ID FL2F19NI0001 KNApSAcK_ID C00008131 NAME Isoderricidin CAS_RN 38965-76-3 FORMULA C20H20O3 EXACTMASS 308.141244506 AVERAGEMASS 308.371 SMILES C(C3)(Oc(c2C(=O)3)cc(OCC=C(C)C)cc2)c(c1)cccc1 M END