Mol:FL2FAANF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0635 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0635 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4992 -1.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0748 0.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -1.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 0.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 0.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5849 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 1.4374 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 0 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 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 24 26 1 0 0 0 0 21 27 2 0 0 0 0 27 20 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FL2FAANF0004 KNApSAcK_ID C00008513 NAME Lupinenol CAS_RN 162616-69-5 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c23)(OC(c(c4)ccc(c4)O)CC3=O)c(c1c(c2O)CC=C(C)C)cc(C(C)(C)O)o1 M END