Mol:FL63PTNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -0.8344 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 6 0 0 0 11 1 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 2 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 10 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 14 24 1 0 0 0 0 S SKP 8 ID FL63PTNM0001 KNApSAcK_ID C00009042 NAME (+)-8-Hydroxy-5,5-dimethylpeltogynan CAS_RN 132125-04-3 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES C(c34)C(O2)C(Oc3cc(O)cc4O)c(c(C2(C)C)1)cc(O)c(O)c1 M END