Mol:FLID3CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 26 0 0 0 0 0 0 0 0999 V2000 -2.2357 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -1.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 1.4785 0.0000 O 0 0 0 0 0 0 0 0 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 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 S SKP 8 ID FLID3CNS0001 KNApSAcK_ID C00009619 NAME 4-Hydroxymaackiain;3,4-Dihydroxy-8,9-methylenedioxypterocarpan CAS_RN 69626-64-8 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES Oc(c5)c(O)c(O4)c(c5)C(O1)C(C4)c(c2)c(cc(O3)c(OC3)2)1 M END