Mol:FLIB1LNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.2357 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 0.0850 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 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 2 0 0 0 0 1 18 1 0 0 0 0 12 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 FLIB1LNS0005 KNApSAcK_ID C00009539 NAME (+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone CAS_RN 524-08-3 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES Oc(c4)cc(O3)c(c4)C(=O)C(C3)c(c1)c(O)cc(O2)c(OC2)1 M END