Mol:FLIBALNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0500 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4937 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4937 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1752 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1752 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 -1.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4937 -1.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 -0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 -0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 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 7 17 2 0 0 0 0 12 18 1 0 0 0 0 3 19 1 0 0 0 0 20 14 1 0 0 0 0 21 1 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 2 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIBALNP0004 KNApSAcK_ID C00009560 NAME Cajanone CAS_RN 63006-48-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES O(c42)CC(C(=O)c2c(O)c(C=3)c(c4)OC(C3)(C)C)c(c1O)cc(c(O)c1)CC=C(C)C M END