Mol:FLID1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 27 0 0 0 0 0 0 0 0999 V2000 -1.7996 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -0.4334 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 8 19 1 6 0 0 0 7 20 1 6 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 S SKP 8 ID FLID1CNS0001 KNApSAcK_ID C00002546 NAME (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan CAS_RN 2035-15-6 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1 M END