Mol:FL5FACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -1.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9628 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5189 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.8356 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 16 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 14 37 1 0 0 0 0 S SKP 8 ID FL5FACNI0003 KNApSAcK_ID C00005033 NAME Broussoflavonol C CAS_RN 104494-29-3 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES c(c12)(OC(c(c3)c(CC=C(C)C)c(c(c(O)3)O)CC=C(C)C)=C(O)C(=O)2)c(c(O)cc1O)C(C)(C)C=C M END