Mol:FLIE1ANI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0677 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0677 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3947 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 1.1573 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 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 7 16 1 0 0 0 0 11 16 1 0 0 0 0 8 17 1 0 0 0 0 17 9 1 0 0 0 0 17 18 2 0 0 0 0 13 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 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 1 30 1 0 0 0 0 S SKP 8 ID FLIE1ANI0005 KNApSAcK_ID C00010061 NAME Puerarol;3,9-Dihydroxy-2-geranylcoumestan CAS_RN 155645-56-0 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES c(o4)(c2c(c43)ccc(O)c3)c(c(OC(=O)2)1)cc(c(c1)O)CC=C(C)CCC=C(C)C M END