Mol:FLIBAANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 -3.5068 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1715 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0629 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6178 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6178 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1715 -0.4835 0.0000 C 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 1 2 1 0 0 0 0 7 17 2 0 0 0 0 18 14 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 30 25 1 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FLIBAANI0002 KNApSAcK_ID C00009968 NAME Sophoraisoflavanone C CAS_RN 133740-38-2 FORMULA C30H36O5 EXACTMASS 476.256274262 AVERAGEMASS 476.60384000000005 SMILES c(O)(c31)c(c(cc(OCC(C(=O)3)c(c2)cc(c(c2)O)CC=C(C)CCC=C(C)C)1)O)CC=C(C)C M END