Mol:FL4DAANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0427 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 -0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 -1.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 1.3719 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 6 20 1 0 0 0 0 1 21 1 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 23 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FL4DAANI0006 KNApSAcK_ID C00008647 NAME Bonanniol A CAS_RN 96917-35-0 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c3)c(ccc3O)C(C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O M END