Mol:FL2FAANI0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.6419 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6414 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6414 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 0.4604 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 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 5 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 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 27 31 1 4 0 0 0 S SKP 8 ID FL2FAANI0017 KNApSAcK_ID C00008512 NAME Lupiniol B CAS_RN 162616-68-4 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(C2c(c3)ccc(O)c3CC(O)C(C)=C)C(c(c1O2)c(cc(O)c1CC=C(C)C)O)=O M END