Mol:FL5FA9GL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.8898 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1684 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4459 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 -1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 -1.4895 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 1 28 1 0 0 0 0 3 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -4.8072 7.5556 S SKP 8 ID FL5FA9GL0001 KNApSAcK_ID C00005120 NAME Galanginin CAS_RN 68592-14-3 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)C(C(O)1)OC(CO)C(O)C1O M END