Mol:FL1C1ANI0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 28 0 0 0 0 0 0 0 0999 V2000 3.3198 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2181 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7718 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7718 0.5050 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 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 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 11 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 S SKP 8 ID FL1C1ANI0019 KNApSAcK_ID C00007159 NAME Xanthoangelol C CAS_RN 132998-82-4 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c1O)ccc(O)c(CC=C(C)CCC=O)1 M END