Mol:FLID2CNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 26 0 0 0 0 0 0 0 0999 V2000 -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.0519 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 8 11 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 S SKP 8 ID FLID2CNS0005 KNApSAcK_ID C00010008 NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan CAS_RN 128585-10-4 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 M END