Mol:FL631CNC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -0.7038 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 -2.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 1.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 2.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 2.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 3 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 4 2 0 0 0 0 9 11 1 0 0 0 0 1 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 2 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 13 1 0 0 0 0 18 20 1 6 0 0 0 20 21 2 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 24 25 2 0 0 0 0 25 20 1 0 0 0 0 24 30 1 0 0 0 0 23 26 1 0 0 0 0 17 27 1 1 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 S SKP 8 ID FL631CNC0003 KNApSAcK_ID C00013265 NAME Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol CAS_RN 173294-75-2 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(C(O)4)(c(c5)cc(OC)c(O)c5)Oc(c3C4)cc(c(c32)c(c(CC2)1)ccc(c1)O)OC M END