Mol:FLIAAANI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 -2.3735 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 0.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 0.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 -1.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 -1.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -1.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9296 -1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 -1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 -1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 2.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8186 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 -0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 0.4073 0.0000 O 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 2 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 3 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 26 14 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 31 32 2 0 0 0 0 1 35 1 0 0 0 0 S SKP 8 ID FLIAAANI0012 KNApSAcK_ID C00009951 NAME Euchrenone b1;5,7,4'-Trihydroxy-6,8,3'-triprenylisoflavone CAS_RN 119061-09-5 FORMULA C30H34O5 EXACTMASS 474.240624198 AVERAGEMASS 474.58796000000007 SMILES Oc(c12)c(CC=C(C)C)c(c(CC=C(C)C)c1OC=C(c(c3)ccc(c(CC=C(C)C)3)O)C2=O)O M END