Mol:FLID1ANP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 28 0 0 0 0 0 0 0 0999 V2000 -2.5856 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.3177 0.0000 C 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 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 S SKP 8 ID FLID1ANP0006 KNApSAcK_ID C00010002 NAME Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan CAS_RN 998755-24-9 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES C(c35)(C(Oc3cc(c4c5)OC(C=C4)(C)C)1)COc(c2)c1ccc(O)2 M END