Mol:FL2F1ANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.7777 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7777 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -0.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -2.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 -0.2038 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 14 18 1 0 0 0 0 6 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 24 1 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 15 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL2F1ANP0003 KNApSAcK_ID C00008251 NAME Sophoranochromene CAS_RN 23057-59-2 FORMULA C30H34O4 EXACTMASS 458.24570957599997 AVERAGEMASS 458.58856000000003 SMILES C(C)(C)=CCc(c12)c(O)ccc(C(CC(c(c4)cc(c3c4CC=C(C)C)C=CC(C)(C)O3)O2)=O)1 M END