Mol:FL4DAANC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -0.8988 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6403 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6403 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.7836 0.0000 O 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 8 19 1 1 0 0 0 16 20 1 0 0 0 0 6 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 5 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 S SKP 8 ID FL4DAANC0003 KNApSAcK_ID C00008658 NAME Gericudranin D CAS_RN 172104-06-2 FORMULA C29H24O8 EXACTMASS 500.14711774399996 AVERAGEMASS 500.49606 SMILES c(c4O)(c(c(c(c(Cc(c5)ccc(c5)O)4)2)C(=O)C(C(c(c3)ccc(c3)O)O2)O)O)Cc(c1)ccc(c1)O M END